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{
"id": "mp-753669",
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"structure_string": "Hf1 Mn6 Sn6\n1.0\n2.699339 -4.675393 0.000000\n2.699339 4.675393 0.000000\n0.000000 0.000000 8.973442\nHf Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.246930 Mn\n0.000000 0.500000 0.753070 Mn\n0.500000 0.500000 0.246930 Mn\n0.500000 0.500000 0.753070 Mn\n0.500000 0.000000 0.246930 Mn\n0.500000 0.000000 0.753070 Mn\n0.333333 0.666667 0.000000 Sn\n0.333333 0.666667 0.500000 Sn\n0.000000 0.000000 0.326817 Sn\n0.000000 0.000000 0.673183 Sn\n0.666667 0.333333 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n",
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{
"id": "mp-1044234",
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"structure_string": "Ni8 P8 O36\n1.0\n6.321533 0.000000 0.000000\n0.000000 7.760846 0.000000\n0.000000 0.000000 14.050746\nNi P O\n8 8 36\ndirect\n0.250000 0.853080 0.621782 Ni\n0.750000 0.146920 0.378218 Ni\n0.750000 0.353080 0.878218 Ni\n0.250000 0.646920 0.121782 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.750000 0.851521 0.561432 P\n0.250000 0.148479 0.438568 P\n0.250000 0.351521 0.938568 P\n0.750000 0.648479 0.061432 P\n0.250000 0.894284 0.811714 P\n0.750000 0.105716 0.188286 P\n0.750000 0.394284 0.688286 P\n0.250000 0.605716 0.311714 P\n0.952377 0.096718 0.129256 O\n0.452377 0.903282 0.870744 O\n0.047623 0.596718 0.370744 O\n0.547623 0.403282 0.629256 O\n0.047623 0.903282 0.870744 O\n0.547623 0.096718 0.129256 O\n0.952377 0.403282 0.629256 O\n0.452377 0.596718 0.370744 O\n0.750000 0.834901 0.017847 O\n0.250000 0.165099 0.982153 O\n0.250000 0.334901 0.482153 O\n0.750000 0.665099 0.517847 O\n0.250000 0.644806 0.546208 O\n0.750000 0.355194 0.453792 O\n0.750000 0.144806 0.953792 O\n0.250000 0.855194 0.046208 O\n0.250000 0.729122 0.746899 O\n0.750000 0.270878 0.253101 O\n0.750000 0.229122 0.753101 O\n0.250000 0.770878 0.246899 O\n0.560270 0.636420 0.130711 O\n0.060270 0.363580 0.869289 O\n0.439730 0.136420 0.369289 O\n0.939730 0.863580 0.630711 O\n0.439730 0.363580 0.869289 O\n0.939730 0.636420 0.130711 O\n0.560270 0.863580 0.630711 O\n0.060270 0.136420 0.369289 O\n0.250000 0.472277 0.227967 O\n0.750000 0.527723 0.772033 O\n0.750000 0.972277 0.272033 O\n0.250000 0.027723 0.727967 O\n0.250000 0.491918 0.013455 O\n0.750000 0.508082 0.986545 O\n0.750000 0.991918 0.486545 O\n0.250000 0.008082 0.513455 O\n",
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"formula_full": "Ni8 P8 O36",
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{
"id": "mp-1203786",
"created_at": "2022-09-04T14:48:07.427210Z",
"structure_string": "Be4 H48 N16 Cl8\n1.0\n0.000000 0.000000 6.815128\n9.384469 0.000000 0.000000\n0.000000 11.927489 0.000000\nBe H N Cl\n4 48 16 8\ndirect\n0.559960 0.748050 0.582524 Be\n0.059959 0.251950 0.417476 Be\n0.059959 0.751950 0.082524 Be\n0.559960 0.248050 0.917476 Be\n0.552134 0.892387 0.422072 H\n0.052134 0.107613 0.577928 H\n0.052134 0.607613 0.922072 H\n0.552134 0.392387 0.077928 H\n0.540769 0.723074 0.388021 H\n0.040769 0.276926 0.611979 H\n0.040769 0.776926 0.888021 H\n0.540769 0.223074 0.111979 H\n0.752203 0.796153 0.422693 H\n0.252203 0.203847 0.577307 H\n0.252203 0.703847 0.922693 H\n0.752203 0.296153 0.077307 H\n0.784988 0.908774 0.664958 H\n0.284988 0.091226 0.335042 H\n0.284988 0.591226 0.164958 H\n0.784988 0.408774 0.835042 H\n0.877724 0.744364 0.651738 H\n0.377724 0.255636 0.348262 H\n0.377724 0.755636 0.151738 H\n0.877724 0.244364 0.848262 H\n0.716883 0.776812 0.749809 H\n0.216883 0.223188 0.250191 H\n0.216883 0.723188 0.249809 H\n0.716883 0.276812 0.750191 H\n0.574127 0.542789 0.684788 H\n0.074127 0.457211 0.315212 H\n0.074127 0.957211 0.184788 H\n0.574127 0.042789 0.815212 H\n0.399332 0.526858 0.591518 H\n0.899332 0.473142 0.408482 H\n0.899332 0.973142 0.091518 H\n0.399332 0.026858 0.908482 H\n0.629298 0.503053 0.552412 H\n0.129298 0.496947 0.447588 H\n0.129298 0.996947 0.052412 H\n0.629298 0.003053 0.947588 H\n0.241414 0.825790 0.556430 H\n0.741414 0.174210 0.443570 H\n0.741414 0.674210 0.056430 H\n0.241414 0.325790 0.943570 H\n0.353691 0.925862 0.650674 H\n0.853691 0.074138 0.349326 H\n0.853691 0.574138 0.150674 H\n0.353691 0.425862 0.849326 H\n0.269178 0.763881 0.684282 H\n0.769178 0.236119 0.315718 H\n0.769178 0.736119 0.184282 H\n0.269178 0.263881 0.815718 H\n0.603979 0.793544 0.443176 N\n0.103979 0.206456 0.556824 N\n0.103979 0.706456 0.943176 N\n0.603979 0.293544 0.056824 N\n0.751562 0.801932 0.667742 N\n0.251562 0.198068 0.332258 N\n0.251562 0.698068 0.167742 N\n0.751562 0.301932 0.832258 N\n0.540460 0.563966 0.602325 N\n0.040460 0.436034 0.397675 N\n0.040460 0.936034 0.102325 N\n0.540460 0.063966 0.897675 N\n0.338460 0.822435 0.623356 N\n0.838460 0.177565 0.376644 N\n0.838460 0.677565 0.123356 N\n0.338460 0.322435 0.876644 N\n0.575487 0.640989 0.890350 Cl\n0.075487 0.359011 0.109650 Cl\n0.075487 0.859011 0.390350 Cl\n0.575487 0.140989 0.609650 Cl\n0.067752 0.031759 0.831992 Cl\n0.567752 0.968241 0.168008 Cl\n0.567752 0.468241 0.331992 Cl\n0.067752 0.531759 0.668008 Cl\n",
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"elements": [
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"formula_full": "Be4 H48 N16 Cl8",
"formula_reduced": "BeH12(N2Cl)2",
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"updated_at": "2021-11-28T01:38:30.688000Z",
"spacegroup": 33
},
{
"id": "mp-753126",
"created_at": "2022-09-04T14:48:07.427967Z",
"structure_string": "Li3 Fe3 Sn2 O10\n1.0\n5.215003 0.000000 0.000000\n1.180312 5.218787 0.000000\n2.124611 1.761296 7.660356\nLi Fe Sn O\n3 3 2 10\ndirect\n0.529619 0.795363 0.386723 Li\n0.000000 0.500000 0.500000 Li\n0.470381 0.204637 0.613277 Li\n0.500000 0.000000 0.000000 Fe\n0.029899 0.688839 0.104039 Fe\n0.970101 0.311161 0.895961 Fe\n0.011618 0.879963 0.696623 Sn\n0.988382 0.120037 0.303377 Sn\n0.228868 0.955390 0.867509 O\n0.790361 0.678516 0.940242 O\n0.772225 0.895293 0.520259 O\n0.268339 0.802447 0.218988 O\n0.184033 0.505324 0.678623 O\n0.815967 0.494676 0.321377 O\n0.731661 0.197553 0.781012 O\n0.227775 0.104707 0.479741 O\n0.209639 0.321484 0.059758 O\n0.771132 0.044610 0.132491 O\n",
"nsites": 18,
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"elements": [
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],
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"formula_full": "Li3 Fe3 Sn2 O10",
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{
"id": "mp-1247582",
"created_at": "2022-09-04T14:48:07.430805Z",
"structure_string": "Sr1 Ca7 Ti3 Mn5 O21\n1.0\n7.930131 -0.034641 0.054316\n-0.033893 7.818560 -0.039260\n0.052060 -0.039612 7.796618\nSr Ca Ti Mn O\n1 7 3 5 21\ndirect\n0.244861 0.267135 0.250944 Sr\n0.266433 0.299203 0.724675 Ca\n0.220013 0.726539 0.278005 Ca\n0.242977 0.704773 0.741483 Ca\n0.773016 0.264964 0.280230 Ca\n0.707266 0.279509 0.744517 Ca\n0.730581 0.742062 0.259326 Ca\n0.739196 0.731872 0.732325 Ca\n0.028051 0.983478 0.985606 Ti\n0.001636 0.997961 0.521763 Ti\n0.495151 0.990495 0.985331 Ti\n0.986043 0.503935 0.021717 Mn\n0.994623 0.499481 0.514923 Mn\n0.509803 0.002188 0.467139 Mn\n0.493083 0.503503 0.994892 Mn\n0.499701 0.508152 0.493479 Mn\n0.967226 0.975051 0.762571 O\n0.006161 0.485948 0.267188 O\n0.993034 0.516468 0.770020 O\n0.581270 0.050002 0.189919 O\n0.592585 0.991840 0.766782 O\n0.496685 0.541242 0.744975 O\n0.257503 0.954710 0.977601 O\n0.221487 0.003813 0.419784 O\n0.244564 0.534752 0.015111 O\n0.257836 0.493919 0.499380 O\n0.794370 0.985679 0.429557 O\n0.732174 0.459686 0.035652 O\n0.739302 0.516566 0.489885 O\n0.984204 0.188911 0.079684 O\n0.994275 0.247458 0.535679 O\n0.955703 0.790419 0.085554 O\n0.022956 0.746577 0.515298 O\n0.450537 0.258185 0.951872 O\n0.506643 0.259801 0.508336 O\n0.535101 0.749082 0.025523 O\n0.483953 0.744642 0.433274 O\n",
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{
"id": "mp-1222610",
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"structure_string": "Li2 Mg1 Zn1\n1.0\n0.000000 3.277003 3.277003\n3.277003 0.000000 3.277003\n3.277003 3.277003 0.000000\nLi Mg Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Zn\n",
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{
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"created_at": "2022-09-04T14:48:07.440037Z",
"structure_string": "Hg8 Te4 O20\n1.0\n6.059813 0.000000 0.000000\n0.000000 7.518115 0.000000\n0.000000 0.000000 10.132890\nHg Te O\n8 4 20\ndirect\n0.227883 0.730651 0.172405 Hg\n0.772117 0.269349 0.672405 Hg\n0.272117 0.230651 0.172405 Hg\n0.727883 0.769349 0.672405 Hg\n0.225156 0.524592 0.835412 Hg\n0.774844 0.475408 0.335412 Hg\n0.274844 0.024592 0.835412 Hg\n0.725156 0.975408 0.335412 Hg\n0.241078 0.866287 0.502456 Te\n0.758922 0.133713 0.002456 Te\n0.258922 0.366287 0.502456 Te\n0.741078 0.633713 0.002456 Te\n0.154275 0.838148 0.686104 O\n0.845725 0.161852 0.186104 O\n0.345725 0.338148 0.686104 O\n0.654275 0.661852 0.186104 O\n0.455446 0.711171 0.943586 O\n0.544554 0.288829 0.443586 O\n0.044554 0.211171 0.943586 O\n0.955446 0.788829 0.443586 O\n0.367787 0.618535 0.502285 O\n0.632213 0.381465 0.002285 O\n0.132213 0.118535 0.502285 O\n0.867787 0.881465 0.002285 O\n0.542492 0.941979 0.551069 O\n0.457508 0.058021 0.051069 O\n0.957508 0.441979 0.551069 O\n0.042492 0.558021 0.051069 O\n0.339274 0.908818 0.317833 O\n0.660726 0.091182 0.817833 O\n0.160726 0.408818 0.317833 O\n0.839274 0.591182 0.817833 O\n",
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"formula_full": "Hg8 Te4 O20",
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{
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"structure_string": "Ho2\n1.0\n1.804377 -3.125272 0.000000\n1.804377 3.125272 0.000000\n0.000000 0.000000 5.577528\nHo\n2\ndirect\n0.333333 0.666667 0.250000 Ho\n0.666667 0.333333 0.750000 Ho\n",
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{
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