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{
"id": "mp-1041926",
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"structure_string": "Ba2 Ti3 Al1 O8\n1.0\n3.970997 0.000000 0.000000\n0.000000 3.970997 0.000000\n0.000000 0.000000 11.449162\nBa Ti Al O\n2 3 1 8\ndirect\n0.500000 0.500000 0.174463 Ba\n0.500000 0.500000 0.825537 Ba\n0.000000 0.000000 0.354629 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.645371 Ti\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.382797 O\n0.500000 0.000000 0.382797 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.187310 O\n0.000000 0.500000 0.617203 O\n0.500000 0.000000 0.617203 O\n0.000000 0.000000 0.812690 O\n0.000000 0.500000 0.000000 O\n",
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{
"id": "mp-1041922",
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"structure_string": "Ca8 Fe8 Si16 O48\n1.0\n5.474047 0.000000 0.000000\n0.000000 9.849241 0.000000\n0.000000 0.000000 19.047483\nCa Fe Si O\n8 8 16 48\ndirect\n0.609324 0.144706 0.378093 Ca\n0.390676 0.855294 0.621907 Ca\n0.609324 0.644706 0.121907 Ca\n0.109324 0.855294 0.121907 Ca\n0.890676 0.144706 0.878093 Ca\n0.390676 0.355294 0.878093 Ca\n0.109324 0.355294 0.378093 Ca\n0.890676 0.644706 0.621907 Ca\n0.386430 0.994749 0.873120 Fe\n0.613570 0.005251 0.126880 Fe\n0.886430 0.005251 0.626880 Fe\n0.113570 0.994749 0.373120 Fe\n0.386430 0.494749 0.626880 Fe\n0.613570 0.505251 0.373120 Fe\n0.886430 0.505251 0.873120 Fe\n0.113570 0.494749 0.126880 Fe\n0.563281 0.667013 0.774328 Si\n0.747148 0.830377 0.474216 Si\n0.752852 0.830377 0.974216 Si\n0.936719 0.167013 0.225672 Si\n0.063281 0.332987 0.725672 Si\n0.436719 0.832987 0.274328 Si\n0.247148 0.669623 0.474216 Si\n0.747148 0.330377 0.025784 Si\n0.752852 0.330377 0.525784 Si\n0.936719 0.667013 0.274328 Si\n0.436719 0.332987 0.225672 Si\n0.563281 0.167013 0.725672 Si\n0.252852 0.169623 0.525784 Si\n0.063281 0.832987 0.774328 Si\n0.252852 0.669623 0.974216 Si\n0.247148 0.169623 0.025784 Si\n0.914942 0.522295 0.315252 O\n0.316043 0.034142 0.070055 O\n0.085058 0.477705 0.684748 O\n0.750940 0.345438 0.940096 O\n0.250940 0.154562 0.940096 O\n0.959893 0.214239 0.046437 O\n0.952509 0.657173 0.188756 O\n0.047491 0.842827 0.688756 O\n0.750940 0.845438 0.559904 O\n0.952509 0.157173 0.311244 O\n0.414942 0.477705 0.184748 O\n0.749060 0.345438 0.440096 O\n0.683957 0.965858 0.929945 O\n0.452509 0.842827 0.188756 O\n0.585058 0.022295 0.684748 O\n0.316043 0.534142 0.429945 O\n0.414942 0.977705 0.315252 O\n0.179995 0.754461 0.299786 O\n0.320005 0.754461 0.799786 O\n0.540107 0.714239 0.953563 O\n0.749060 0.845438 0.059904 O\n0.547491 0.657173 0.688756 O\n0.816043 0.465858 0.070055 O\n0.179995 0.254461 0.200214 O\n0.249060 0.154562 0.440096 O\n0.547491 0.157173 0.811244 O\n0.683957 0.465858 0.570055 O\n0.250940 0.654562 0.559904 O\n0.183957 0.534142 0.929945 O\n0.679995 0.745539 0.299786 O\n0.085058 0.977705 0.815252 O\n0.820005 0.745539 0.799786 O\n0.820005 0.245539 0.700214 O\n0.816043 0.965858 0.429945 O\n0.249060 0.654562 0.059904 O\n0.183957 0.034142 0.570055 O\n0.320005 0.254461 0.700214 O\n0.040107 0.785761 0.953563 O\n0.459893 0.785761 0.453563 O\n0.679995 0.245539 0.200214 O\n0.459893 0.285761 0.046437 O\n0.540107 0.214239 0.546437 O\n0.040107 0.285761 0.546437 O\n0.452509 0.342827 0.311244 O\n0.585058 0.522295 0.815252 O\n0.959893 0.714239 0.453563 O\n0.047491 0.342827 0.811244 O\n0.914942 0.022295 0.184748 O\n",
"nsites": 80,
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"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Ca-Fe-O-Si",
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"density_atomic": 0.07790065443426455,
"volume": 1026.94901064672,
"volume_molar": 7.730539369321608,
"formula_full": "Ca8 Fe8 Si16 O48",
"formula_reduced": "CaFe(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy": -646.3925476500001,
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"spacegroup": 61
},
{
"id": "mp-1041919",
"created_at": "2022-09-04T14:42:18.100980Z",
"structure_string": "Mg6 Cu6 W12 O42\n1.0\n8.941108 0.000000 0.000000\n0.000000 9.247491 -1.275926\n0.000000 -0.914895 11.337215\nMg Cu W O\n6 6 12 42\ndirect\n0.431382 0.153255 0.577435 Mg\n0.935498 0.500000 0.750000 Mg\n0.431382 0.846745 0.922565 Mg\n0.064502 0.500000 0.250000 Mg\n0.568618 0.846745 0.422565 Mg\n0.568618 0.153255 0.077435 Mg\n0.933070 0.820712 0.405082 Cu\n0.066930 0.179288 0.594918 Cu\n0.433558 0.500000 0.250000 Cu\n0.933070 0.179288 0.094918 Cu\n0.566442 0.500000 0.750000 Cu\n0.066930 0.820712 0.905082 Cu\n0.247291 0.206786 0.293528 W\n0.764630 0.121033 0.374344 W\n0.235370 0.121033 0.874344 W\n0.752709 0.206786 0.793528 W\n0.266275 0.538177 0.960844 W\n0.764630 0.878967 0.125656 W\n0.733725 0.538177 0.460844 W\n0.235370 0.878967 0.625656 W\n0.266275 0.461823 0.539156 W\n0.733725 0.461823 0.039156 W\n0.752709 0.793214 0.706472 W\n0.247291 0.793214 0.206472 W\n0.739107 0.226271 0.971314 O\n0.763312 0.890156 0.306532 O\n0.800608 0.000000 0.750000 O\n0.908570 0.447192 0.114354 O\n0.412413 0.921403 0.550625 O\n0.922957 0.272919 0.722042 O\n0.287243 0.336710 0.918343 O\n0.091430 0.447192 0.614354 O\n0.743582 0.446465 0.866196 O\n0.412413 0.078597 0.949375 O\n0.743582 0.553535 0.633804 O\n0.430883 0.591332 0.884552 O\n0.943119 0.865568 0.050682 O\n0.077043 0.272919 0.222042 O\n0.712757 0.663290 0.081657 O\n0.287243 0.663290 0.581657 O\n0.922957 0.727081 0.777958 O\n0.587587 0.078597 0.449375 O\n0.260893 0.226271 0.471314 O\n0.569117 0.408668 0.115448 O\n0.424670 0.797110 0.282903 O\n0.256418 0.553535 0.133804 O\n0.056881 0.865568 0.550682 O\n0.256418 0.446465 0.366196 O\n0.908570 0.552808 0.385646 O\n0.569117 0.591332 0.384552 O\n0.091430 0.552808 0.885646 O\n0.575330 0.797110 0.782903 O\n0.575330 0.202890 0.717097 O\n0.056881 0.134432 0.949318 O\n0.077043 0.727081 0.277958 O\n0.739107 0.773729 0.528686 O\n0.199392 0.000000 0.250000 O\n0.236688 0.890156 0.806532 O\n0.587587 0.921403 0.050625 O\n0.943119 0.134432 0.449318 O\n0.260893 0.773729 0.028686 O\n0.763312 0.109844 0.193468 O\n0.430883 0.408668 0.615448 O\n0.712757 0.336710 0.418343 O\n0.236688 0.109844 0.693468 O\n0.424670 0.202890 0.217097 O\n",
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"elements": [
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],
"chemical_system": "Cu-Mg-O-W",
"density": 6.099971534464707,
"density_atomic": 0.07120082425668339,
"volume": 926.9555611051061,
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"formula_full": "Mg6 Cu6 W12 O42",
"formula_reduced": "MgCuW2O7",
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"energy": -530.57096655,
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"updated_at": "2021-11-28T01:35:43.512000Z",
"spacegroup": 13
},
{
"id": "mp-1041914",
"created_at": "2022-09-04T14:40:03.884003Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n-3.012599 3.012751 4.315846\n3.012599 -3.012751 4.315846\n3.012599 3.012751 -4.315846\nMg Mn O\n2 4 8\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.612638 0.862638 0.750000 Mn\n0.387362 0.137362 0.250000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.254992 0.274911 0.980081 O\n0.247445 0.278007 0.530562 O\n0.794830 0.274911 0.519919 O\n0.247445 0.716883 0.969438 O\n0.752555 0.283117 0.030562 O\n0.752555 0.721993 0.469438 O\n0.205170 0.725089 0.480081 O\n0.745008 0.725089 0.019919 O\n",
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"volume": 156.6861097132328,
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"formula_full": "Mg2 Mn4 O8",
"formula_reduced": "MgMn2O4",
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{
"id": "mp-1041912",
"created_at": "2022-09-04T14:47:58.351615Z",
"structure_string": "Ca8 Co8 Si16 O48\n1.0\n5.428428 0.000000 0.000000\n0.000000 9.772382 0.000000\n0.000000 0.000000 18.989053\nCa Co Si O\n8 8 16 48\ndirect\n0.611926 0.146000 0.378597 Ca\n0.388074 0.854000 0.621403 Ca\n0.611926 0.646000 0.121403 Ca\n0.111926 0.854000 0.121403 Ca\n0.888074 0.146000 0.878597 Ca\n0.388074 0.354000 0.878597 Ca\n0.111926 0.354000 0.378597 Ca\n0.888074 0.646000 0.621403 Ca\n0.384531 0.993266 0.871877 Co\n0.615469 0.006734 0.128123 Co\n0.884531 0.006734 0.628123 Co\n0.115469 0.993266 0.371877 Co\n0.384531 0.493266 0.628123 Co\n0.615469 0.506734 0.371877 Co\n0.884531 0.506734 0.871877 Co\n0.115469 0.493266 0.128123 Co\n0.562397 0.665166 0.774738 Si\n0.749038 0.832340 0.474224 Si\n0.750962 0.832340 0.974224 Si\n0.937603 0.165166 0.225262 Si\n0.062397 0.334834 0.725262 Si\n0.437603 0.834834 0.274738 Si\n0.249038 0.667660 0.474224 Si\n0.749038 0.332340 0.025776 Si\n0.750962 0.332340 0.525776 Si\n0.937603 0.665166 0.274738 Si\n0.437603 0.334834 0.225262 Si\n0.562397 0.165166 0.725262 Si\n0.250962 0.167660 0.525776 Si\n0.062397 0.834834 0.774738 Si\n0.250962 0.667660 0.974224 Si\n0.249038 0.167660 0.025776 Si\n0.917476 0.518484 0.314578 O\n0.320959 0.032484 0.070420 O\n0.082524 0.481516 0.685422 O\n0.752658 0.349272 0.939836 O\n0.252658 0.150728 0.939836 O\n0.959073 0.212237 0.046011 O\n0.958077 0.654983 0.188871 O\n0.041923 0.845017 0.688871 O\n0.752658 0.849272 0.560164 O\n0.958077 0.154983 0.311129 O\n0.417476 0.481516 0.185422 O\n0.747342 0.349272 0.439836 O\n0.679041 0.967516 0.929580 O\n0.458077 0.845017 0.188871 O\n0.582524 0.018484 0.685422 O\n0.320959 0.532484 0.429580 O\n0.417476 0.981516 0.314578 O\n0.175140 0.759361 0.300772 O\n0.324860 0.759361 0.800772 O\n0.540927 0.712237 0.953989 O\n0.747342 0.849272 0.060164 O\n0.541923 0.654983 0.688871 O\n0.820959 0.467516 0.070420 O\n0.175140 0.259361 0.199228 O\n0.247342 0.150728 0.439836 O\n0.541923 0.154983 0.811129 O\n0.679041 0.467516 0.570420 O\n0.252658 0.650728 0.560164 O\n0.179041 0.532484 0.929580 O\n0.675140 0.740639 0.300772 O\n0.082524 0.981516 0.814578 O\n0.824860 0.740639 0.800772 O\n0.824860 0.240639 0.699228 O\n0.820959 0.967516 0.429580 O\n0.247342 0.650728 0.060164 O\n0.179041 0.032484 0.570420 O\n0.324860 0.259361 0.699228 O\n0.040927 0.787763 0.953989 O\n0.459073 0.787763 0.453989 O\n0.675140 0.240639 0.199228 O\n0.459073 0.287763 0.046011 O\n0.540927 0.212237 0.546011 O\n0.040927 0.287763 0.546011 O\n0.458077 0.345017 0.311129 O\n0.582524 0.518484 0.814578 O\n0.959073 0.712237 0.453989 O\n0.041923 0.345017 0.811129 O\n0.917476 0.018484 0.185422 O\n",
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"volume": 1007.3440456212136,
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"formula_full": "Ca8 Co8 Si16 O48",
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"spacegroup": 61
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{
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"created_at": "2022-09-04T14:40:06.920231Z",
"structure_string": "Mg2 Ni4 O8\n1.0\n-2.966724 2.981610 4.020463\n2.966724 -2.981610 4.020463\n2.966724 2.981610 -4.020463\nMg Ni O\n2 4 8\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.615840 0.865840 0.750000 Ni\n0.384160 0.134160 0.250000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.777087 0.265378 0.511709 O\n0.253711 0.740745 0.987033 O\n0.253669 0.265378 0.988291 O\n0.253711 0.266678 0.512967 O\n0.746289 0.733322 0.487033 O\n0.746289 0.259255 0.012967 O\n0.746331 0.734622 0.011709 O\n0.222913 0.734622 0.488291 O\n",
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{
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"structure_string": "Zn2 Cr4 O8\n1.0\n-3.019137 3.121763 4.120045\n3.019137 -3.121763 4.120045\n3.019137 3.121763 -4.120045\nZn Cr O\n2 4 8\ndirect\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.124102 0.874102 0.250000 Cr\n0.875898 0.125898 0.750000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.746230 0.258980 0.012750 O\n0.711545 0.241958 0.469587 O\n0.746230 0.733480 0.487250 O\n0.272371 0.241958 0.030413 O\n0.727629 0.758042 0.969587 O\n0.288455 0.758042 0.530413 O\n0.253770 0.266520 0.512750 O\n0.253770 0.741020 0.987250 O\n",
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"formula_full": "Zn2 Cr4 O8",
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{
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"structure_string": "Ca8 Mn8 Si16 O48\n1.0\n5.485102 0.000000 0.000000\n0.000000 9.831449 0.000000\n0.000000 0.000000 19.229276\nCa Mn Si O\n8 8 16 48\ndirect\n0.611862 0.145085 0.377443 Ca\n0.388138 0.854915 0.622557 Ca\n0.611862 0.645085 0.122557 Ca\n0.111862 0.854915 0.122557 Ca\n0.888138 0.145085 0.877443 Ca\n0.388138 0.354915 0.877443 Ca\n0.111862 0.354915 0.377443 Ca\n0.888138 0.645085 0.622557 Ca\n0.385680 0.989473 0.873062 Mn\n0.614320 0.010527 0.126938 Mn\n0.885680 0.010527 0.626938 Mn\n0.114320 0.989473 0.373062 Mn\n0.385680 0.489473 0.626938 Mn\n0.614320 0.510527 0.373062 Mn\n0.885680 0.510527 0.873062 Mn\n0.114320 0.489473 0.126938 Mn\n0.557381 0.666022 0.773292 Si\n0.741216 0.831878 0.475377 Si\n0.758784 0.831878 0.975377 Si\n0.942619 0.166022 0.226708 Si\n0.057381 0.333978 0.726708 Si\n0.442619 0.833978 0.273292 Si\n0.241216 0.668122 0.475377 Si\n0.741216 0.331878 0.024623 Si\n0.758784 0.331878 0.524623 Si\n0.942619 0.666022 0.273292 Si\n0.442619 0.333978 0.226708 Si\n0.557381 0.166022 0.726708 Si\n0.258784 0.168122 0.524623 Si\n0.057381 0.833978 0.773292 Si\n0.258784 0.668122 0.975377 Si\n0.241216 0.168122 0.024623 Si\n0.927156 0.521554 0.313407 O\n0.306852 0.032791 0.068289 O\n0.072844 0.478446 0.686593 O\n0.745448 0.346771 0.939600 O\n0.245448 0.153229 0.939600 O\n0.955598 0.216183 0.045616 O\n0.957596 0.657034 0.188445 O\n0.042404 0.842966 0.688445 O\n0.745448 0.846771 0.560400 O\n0.957596 0.157034 0.311555 O\n0.427156 0.478446 0.186593 O\n0.754552 0.346771 0.439600 O\n0.693148 0.967209 0.931711 O\n0.457596 0.842966 0.188445 O\n0.572844 0.021554 0.686593 O\n0.306852 0.532791 0.431711 O\n0.427156 0.978446 0.313407 O\n0.181228 0.758847 0.298887 O\n0.318772 0.758847 0.798887 O\n0.544402 0.716183 0.954384 O\n0.754552 0.846771 0.060400 O\n0.542404 0.657034 0.688445 O\n0.806852 0.467209 0.068289 O\n0.181228 0.258847 0.201113 O\n0.254552 0.153229 0.439600 O\n0.542404 0.157034 0.811555 O\n0.693148 0.467209 0.568289 O\n0.245448 0.653229 0.560400 O\n0.193148 0.532791 0.931711 O\n0.681228 0.741153 0.298887 O\n0.072844 0.978446 0.813407 O\n0.818772 0.741153 0.798887 O\n0.818772 0.241153 0.701113 O\n0.806852 0.967209 0.431711 O\n0.254552 0.653229 0.060400 O\n0.193148 0.032791 0.568289 O\n0.318772 0.258847 0.701113 O\n0.044402 0.783817 0.954384 O\n0.455598 0.783817 0.454384 O\n0.681228 0.241153 0.201113 O\n0.455598 0.283817 0.045616 O\n0.544402 0.216183 0.545616 O\n0.044402 0.283817 0.545616 O\n0.457596 0.342966 0.311555 O\n0.572844 0.521554 0.813407 O\n0.955598 0.716183 0.454384 O\n0.042404 0.342966 0.811555 O\n0.927156 0.021554 0.186593 O\n",
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],
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"volume": 1036.9675632284907,
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"formula_full": "Ca8 Mn8 Si16 O48",
"formula_reduced": "CaMn(SiO3)2",
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"updated_at": "2021-11-28T01:37:42.596000Z",
"spacegroup": 61
},
{
"id": "mp-1041901",
"created_at": "2022-09-04T14:48:29.605630Z",
"structure_string": "Mn4 Zn2 O8\n1.0\n-3.010084 3.015395 4.407680\n3.010084 -3.015395 4.407680\n3.010084 3.015395 -4.407680\nMn Zn O\n4 2 8\ndirect\n0.638162 0.888162 0.750000 Mn\n0.361838 0.111838 0.250000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.220934 0.236946 0.516012 O\n0.217130 0.248102 0.969028 O\n0.220934 0.704922 0.983988 O\n0.779074 0.248102 0.530972 O\n0.220926 0.751898 0.469028 O\n0.782870 0.751898 0.030972 O\n0.779066 0.295078 0.016012 O\n0.779066 0.763054 0.483988 O\n",
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"chemical_system": "Mn-O-Zn",
"density": 4.965894646191815,
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"formula_full": "Mn4 Zn2 O8",
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"updated_at": "2021-11-28T01:39:51.448000Z",
"spacegroup": 74
},
{
"id": "mp-10419",
"created_at": "2022-09-04T14:40:59.375412Z",
"structure_string": "Na8 Re2 N6\n1.0\n3.048625 5.500621 0.000000\n-3.048625 5.500621 0.000000\n0.000000 3.779209 8.091104\nNa Re N\n8 2 6\ndirect\n0.374041 0.003062 0.864627 Na\n0.563984 0.205588 0.472955 Na\n0.467037 0.742643 0.543065 Na\n0.742643 0.467037 0.043065 Na\n0.631147 0.959878 0.138509 Na\n0.959878 0.631147 0.638509 Na\n0.205588 0.563984 0.972955 Na\n0.003062 0.374041 0.364627 Na\n0.155613 0.864177 0.249987 Re\n0.864177 0.155613 0.749987 Re\n0.454841 0.624088 0.311493 N\n0.624088 0.454841 0.811493 N\n0.860636 0.830920 0.354195 N\n0.830920 0.860636 0.854195 N\n0.147385 0.173362 0.133068 N\n0.173362 0.147385 0.633068 N\n",
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},
{
"id": "mp-1041899",
"created_at": "2022-09-04T14:41:00.337442Z",
"structure_string": "V4 Zn2 O8\n1.0\n-3.005408 3.024655 4.391855\n3.005408 -3.024655 4.391855\n3.005408 3.024655 -4.391855\nV Zn O\n4 2 8\ndirect\n0.617543 0.867543 0.750000 V\n0.382457 0.132457 0.250000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.772018 0.263295 0.508723 O\n0.251946 0.734309 0.982364 O\n0.254571 0.263295 0.991277 O\n0.251946 0.269582 0.517636 O\n0.748054 0.730418 0.482364 O\n0.748054 0.265691 0.017636 O\n0.745429 0.736705 0.008723 O\n0.227982 0.736705 0.491277 O\n",
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"elements": [
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},
{
"id": "mp-1041894",
"created_at": "2022-09-04T14:41:54.168612Z",
"structure_string": "Zn6 Cu6 Mo12 O42\n1.0\n8.587734 0.000000 0.000000\n0.000000 10.612540 0.000000\n0.000000 1.213538 10.700432\nZn Cu Mo O\n6 6 12 42\ndirect\n0.432228 0.874075 0.570873 Zn\n0.924031 0.500000 0.750000 Zn\n0.432228 0.125925 0.929127 Zn\n0.075969 0.500000 0.250000 Zn\n0.567772 0.125925 0.429127 Zn\n0.567772 0.874075 0.070873 Zn\n0.930505 0.190475 0.408343 Cu\n0.069495 0.809525 0.591657 Cu\n0.437472 0.500000 0.250000 Cu\n0.930505 0.809525 0.091657 Cu\n0.562528 0.500000 0.750000 Cu\n0.069495 0.190475 0.908343 Cu\n0.233070 0.824959 0.287371 Mo\n0.755267 0.848215 0.368550 Mo\n0.244733 0.848215 0.868550 Mo\n0.766930 0.824959 0.787371 Mo\n0.269703 0.508415 0.958784 Mo\n0.755267 0.151785 0.131450 Mo\n0.730297 0.508415 0.458784 Mo\n0.244733 0.151785 0.631450 Mo\n0.269703 0.491585 0.541216 Mo\n0.730297 0.491585 0.041216 Mo\n0.766930 0.175041 0.712629 Mo\n0.233070 0.175041 0.212629 Mo\n0.740135 0.798549 0.957257 O\n0.756614 0.136406 0.306625 O\n0.820775 0.000000 0.750000 O\n0.911186 0.515765 0.115119 O\n0.415741 0.068508 0.566739 O\n0.918675 0.726479 0.723879 O\n0.320255 0.677392 0.927410 O\n0.088814 0.515765 0.615119 O\n0.740702 0.530697 0.870147 O\n0.415741 0.931492 0.933261 O\n0.740702 0.469303 0.629853 O\n0.421017 0.429635 0.885703 O\n0.929331 0.138149 0.043407 O\n0.081325 0.726479 0.223879 O\n0.679745 0.322608 0.072590 O\n0.320255 0.322608 0.572590 O\n0.918675 0.273521 0.776121 O\n0.584259 0.931492 0.433261 O\n0.259865 0.798549 0.457257 O\n0.578983 0.570365 0.114297 O\n0.408363 0.197005 0.298905 O\n0.259298 0.469303 0.129853 O\n0.070669 0.138149 0.543407 O\n0.259298 0.530697 0.370147 O\n0.911186 0.484235 0.384881 O\n0.578983 0.429635 0.385703 O\n0.088814 0.484235 0.884881 O\n0.591637 0.197005 0.798905 O\n0.591637 0.802995 0.701095 O\n0.070669 0.861851 0.956593 O\n0.081325 0.273521 0.276121 O\n0.740135 0.201451 0.542743 O\n0.179225 0.000000 0.250000 O\n0.243386 0.136406 0.806625 O\n0.584259 0.068508 0.066739 O\n0.929331 0.861851 0.456593 O\n0.259865 0.201451 0.042743 O\n0.756614 0.863594 0.193375 O\n0.421017 0.570365 0.614297 O\n0.679745 0.677392 0.427410 O\n0.243386 0.863594 0.693375 O\n0.408363 0.802995 0.201095 O\n",
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],
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"formula_full": "Zn6 Cu6 Mo12 O42",
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"updated_at": "2021-11-28T01:35:26.481000Z",
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}
]
}