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{
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{
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{
"id": "mp-1218080",
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"structure_string": "Ta4 Ga1 Te6 Se2\n1.0\n-3.897178 3.981474 5.537594\n3.897178 -3.981474 5.537594\n3.897178 3.981474 -5.537594\nTa Ga Te Se\n4 1 6 2\ndirect\n0.614304 0.406276 0.208028 Ta\n0.198248 0.406276 0.791972 Ta\n0.598423 0.410812 0.812389 Ta\n0.598423 0.786033 0.187611 Ta\n0.008199 0.008199 0.000000 Ga\n0.859748 0.138332 0.721416 Te\n0.416917 0.138332 0.278584 Te\n0.864479 0.135578 0.271099 Te\n0.864479 0.593380 0.728901 Te\n0.356786 0.627395 0.270609 Te\n0.356786 0.086176 0.729391 Te\n0.370015 0.631604 0.738411 Se\n0.893193 0.631604 0.261589 Se\n",
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{
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{
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"structure_string": "Ta4 Ga2 Co6\n1.0\n2.450495 -4.244382 0.000000\n2.450495 4.244382 0.000000\n0.000000 0.000000 7.630064\nTa Ga Co\n4 2 6\ndirect\n0.333333 0.666667 0.439362 Ta\n0.666667 0.333333 0.560638 Ta\n0.666667 0.333333 0.939362 Ta\n0.333333 0.666667 0.060638 Ta\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.827404 0.172596 0.250000 Co\n0.827404 0.654808 0.250000 Co\n0.345192 0.172596 0.250000 Co\n0.172596 0.827404 0.750000 Co\n0.172596 0.345192 0.750000 Co\n0.654808 0.827404 0.750000 Co\n",
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{
"id": "mp-1218018",
"created_at": "2022-09-04T14:47:16.178225Z",
"structure_string": "Ta4 Ga2 Ni6\n1.0\n2.454380 -4.251111 0.000000\n2.454380 4.251111 0.000000\n0.000000 0.000000 7.773302\nTa Ga Ni\n4 2 6\ndirect\n0.333333 0.666667 0.440253 Ta\n0.666667 0.333333 0.559747 Ta\n0.666667 0.333333 0.940253 Ta\n0.333333 0.666667 0.059747 Ta\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.828122 0.171878 0.250000 Ni\n0.828122 0.656244 0.250000 Ni\n0.343756 0.171878 0.250000 Ni\n0.171878 0.828122 0.750000 Ni\n0.171878 0.343756 0.750000 Ni\n0.656244 0.828122 0.750000 Ni\n",
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{
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"structure_string": "Ta4 Ga4 O16\n1.0\n5.003730 0.000000 0.000000\n0.000000 5.640993 0.000000\n0.000000 0.000000 9.375728\nTa Ga O\n4 4 16\ndirect\n0.762696 0.580366 0.627259 Ta\n0.762696 0.080366 0.872741 Ta\n0.262696 0.919634 0.127259 Ta\n0.262696 0.419634 0.372741 Ta\n0.245321 0.434854 0.879765 Ga\n0.745321 0.565146 0.120235 Ga\n0.745321 0.065146 0.379765 Ga\n0.245321 0.934854 0.620235 Ga\n0.075374 0.645213 0.740454 O\n0.575706 0.876213 0.737235 O\n0.075374 0.145213 0.759546 O\n0.575706 0.376213 0.762765 O\n0.423322 0.137492 0.991644 O\n0.917581 0.358457 0.986764 O\n0.923322 0.862508 0.008356 O\n0.417581 0.641543 0.013236 O\n0.075706 0.623787 0.237235 O\n0.575374 0.854787 0.240454 O\n0.075706 0.123787 0.262765 O\n0.575374 0.354787 0.259546 O\n0.417581 0.141543 0.486764 O\n0.923322 0.362508 0.491644 O\n0.423322 0.637492 0.508356 O\n0.917581 0.858457 0.513236 O\n",
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{
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{
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{
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"structure_string": "Ta4 H30 N12 Cl14\n1.0\n5.093622 -10.410427 0.000000\n5.093622 10.410427 0.000000\n0.000000 0.000000 7.939896\nTa H N Cl\n4 30 12 14\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.839482 0.160518 0.750000 Ta\n0.160518 0.839482 0.250000 Ta\n0.288320 0.050432 0.750000 H\n0.399717 0.027746 0.855297 H\n0.399717 0.027746 0.644703 H\n0.468565 0.189795 0.750000 H\n0.507770 0.324677 0.250000 H\n0.921934 0.078066 0.250000 H\n0.873236 0.126764 0.030947 H\n0.873236 0.126764 0.469053 H\n0.533631 0.466369 0.146582 H\n0.533631 0.466369 0.353418 H\n0.675323 0.492230 0.250000 H\n0.050432 0.288320 0.250000 H\n0.810205 0.531435 0.750000 H\n0.027746 0.399717 0.144703 H\n0.027746 0.399717 0.355297 H\n0.972254 0.600283 0.855297 H\n0.972254 0.600283 0.644703 H\n0.189795 0.468565 0.250000 H\n0.949568 0.711680 0.750000 H\n0.324677 0.507770 0.750000 H\n0.466369 0.533631 0.853418 H\n0.466369 0.533631 0.646582 H\n0.126764 0.873236 0.969053 H\n0.078066 0.921934 0.750000 H\n0.126764 0.873236 0.530947 H\n0.492230 0.675323 0.750000 H\n0.531435 0.810205 0.250000 H\n0.600283 0.972254 0.144703 H\n0.600283 0.972254 0.355297 H\n0.711680 0.949568 0.250000 H\n0.389045 0.072367 0.750000 N\n0.971258 0.028742 0.250000 N\n0.903699 0.096301 0.571126 N\n0.903699 0.096301 0.928874 N\n0.563538 0.436462 0.250000 N\n0.072367 0.389045 0.250000 N\n0.927633 0.610955 0.750000 N\n0.096301 0.903699 0.071126 N\n0.436462 0.563538 0.750000 N\n0.096301 0.903699 0.428874 N\n0.028742 0.971258 0.750000 N\n0.610955 0.927633 0.250000 N\n0.412337 0.064769 0.250000 Cl\n0.593044 0.406956 0.750000 Cl\n0.754881 0.245119 0.523267 Cl\n0.754881 0.245119 0.976733 Cl\n0.238401 0.238401 0.000000 Cl\n0.238401 0.238401 0.500000 Cl\n0.064769 0.412337 0.750000 Cl\n0.935231 0.587663 0.250000 Cl\n0.406956 0.593044 0.250000 Cl\n0.245119 0.754881 0.023267 Cl\n0.245119 0.754881 0.476733 Cl\n0.587663 0.935231 0.750000 Cl\n0.761599 0.761599 0.000000 Cl\n0.761599 0.761599 0.500000 Cl\n",
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{
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"spacegroup": 14
},
{
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}