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{
"id": "mp-1193097",
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"structure_string": "Zr16 Fe8 N4\n1.0\n0.000000 6.103196 6.103196\n6.103196 0.000000 6.103196\n6.103196 6.103196 0.000000\nZr Fe N\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.814695 0.814695 0.185305 Zr\n0.185305 0.185305 0.814695 Zr\n0.814695 0.185305 0.814695 Zr\n0.185305 0.814695 0.185305 Zr\n0.185305 0.814695 0.814695 Zr\n0.814695 0.185305 0.185305 Zr\n0.435305 0.435305 0.064695 Zr\n0.064695 0.064695 0.435305 Zr\n0.435305 0.064695 0.435305 Zr\n0.064695 0.435305 0.064695 Zr\n0.064695 0.435305 0.435305 Zr\n0.435305 0.064695 0.064695 Zr\n0.752463 0.415846 0.415846 Fe\n0.415846 0.752463 0.415846 Fe\n0.415846 0.415846 0.752463 Fe\n0.415846 0.415846 0.415846 Fe\n0.497537 0.834154 0.834154 Fe\n0.834154 0.497537 0.834154 Fe\n0.834154 0.834154 0.497537 Fe\n0.834154 0.834154 0.834154 Fe\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n",
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{
"id": "mp-644763",
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"structure_string": "Zr16 Fe8 H8 O4\n1.0\n0.000000 6.342840 6.342840\n6.342840 0.000000 6.342840\n6.342840 6.342840 0.000000\nZr Fe H O\n16 8 8 4\ndirect\n0.689527 0.689527 0.310473 Zr\n0.310473 0.310473 0.689527 Zr\n0.689527 0.310473 0.689527 Zr\n0.310473 0.689527 0.310473 Zr\n0.310473 0.689527 0.689527 Zr\n0.689527 0.310473 0.310473 Zr\n0.560473 0.560473 0.939527 Zr\n0.939527 0.939527 0.560473 Zr\n0.560473 0.939527 0.560473 Zr\n0.939527 0.560473 0.939527 Zr\n0.939527 0.560473 0.560473 Zr\n0.560473 0.939527 0.939527 Zr\n0.625000 0.125000 0.125000 Zr\n0.125000 0.625000 0.125000 Zr\n0.125000 0.125000 0.625000 Zr\n0.125000 0.125000 0.125000 Zr\n0.009254 0.330249 0.330249 Fe\n0.330249 0.009254 0.330249 Fe\n0.330249 0.330249 0.009254 Fe\n0.330249 0.330249 0.330249 Fe\n0.240746 0.919751 0.919751 Fe\n0.919751 0.240746 0.919751 Fe\n0.919751 0.919751 0.240746 Fe\n0.919751 0.919751 0.919751 Fe\n0.746107 0.417964 0.417964 H\n0.417964 0.746107 0.417964 H\n0.417964 0.417964 0.746107 H\n0.417964 0.417964 0.417964 H\n0.503893 0.832036 0.832036 H\n0.832036 0.503893 0.832036 H\n0.832036 0.832036 0.503893 H\n0.832036 0.832036 0.832036 H\n0.125000 0.625000 0.625000 O\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.125000 O\n0.625000 0.625000 0.625000 O\n",
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"formula_full": "Zr16 Fe8 H8 O4",
"formula_reduced": "Zr4Fe2H2O",
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"spacegroup": 227
},
{
"id": "mp-17682",
"created_at": "2022-09-04T14:43:00.342921Z",
"structure_string": "Zr16 Fe8\n1.0\n0.000000 6.078596 6.078596\n6.078596 0.000000 6.078596\n6.078596 6.078596 0.000000\nZr Fe\n16 8\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.811804 0.811804 0.188196 Zr\n0.188196 0.188196 0.811804 Zr\n0.811804 0.188196 0.811804 Zr\n0.188196 0.811804 0.188196 Zr\n0.188196 0.811804 0.811804 Zr\n0.811804 0.188196 0.188196 Zr\n0.438196 0.438196 0.061804 Zr\n0.061804 0.061804 0.438196 Zr\n0.438196 0.061804 0.438196 Zr\n0.061804 0.438196 0.061804 Zr\n0.061804 0.438196 0.438196 Zr\n0.438196 0.061804 0.061804 Zr\n0.781331 0.406223 0.406223 Fe\n0.406223 0.781331 0.406223 Fe\n0.406223 0.406223 0.781331 Fe\n0.406223 0.406223 0.406223 Fe\n0.468669 0.843777 0.843777 Fe\n0.843777 0.468669 0.843777 Fe\n0.843777 0.843777 0.468669 Fe\n0.843777 0.843777 0.843777 Fe\n",
"nsites": 24,
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"volume": 449.2000909508245,
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"formula_full": "Zr16 Fe8",
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"updated_at": "2021-11-28T01:36:03.381000Z",
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},
{
"id": "mp-583800",
"created_at": "2022-09-04T14:41:54.814247Z",
"structure_string": "Zr16 Cu8\n1.0\n0.000000 6.154549 6.154549\n6.154549 0.000000 6.154549\n6.154549 6.154549 0.000000\nZr Cu\n16 8\ndirect\n0.935129 0.564871 0.564871 Zr\n0.935129 0.564871 0.935129 Zr\n0.685129 0.314871 0.314871 Zr\n0.314871 0.314871 0.685129 Zr\n0.314871 0.685129 0.685129 Zr\n0.564871 0.564871 0.935129 Zr\n0.564871 0.935129 0.935129 Zr\n0.125000 0.125000 0.125000 Zr\n0.935129 0.935129 0.564871 Zr\n0.314871 0.685129 0.314871 Zr\n0.564871 0.935129 0.564871 Zr\n0.685129 0.314871 0.685129 Zr\n0.685129 0.685129 0.314871 Zr\n0.125000 0.625000 0.125000 Zr\n0.125000 0.125000 0.625000 Zr\n0.625000 0.125000 0.125000 Zr\n0.998694 0.333769 0.333769 Cu\n0.333769 0.998694 0.333769 Cu\n0.916231 0.916231 0.916231 Cu\n0.251306 0.916231 0.916231 Cu\n0.916231 0.251306 0.916231 Cu\n0.916231 0.916231 0.251306 Cu\n0.333769 0.333769 0.998694 Cu\n0.333769 0.333769 0.333769 Cu\n",
"nsites": 24,
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"elements": [
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"density": 7.008819927006588,
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"formula_full": "Zr16 Cu8",
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"energy": -171.11239581,
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"updated_at": "2021-11-28T01:35:31.784000Z",
"spacegroup": 227
},
{
"id": "mp-1195070",
"created_at": "2022-09-04T14:41:54.647716Z",
"structure_string": "Zr16 Cu4 Sb28\n1.0\n11.290148 0.000000 0.000000\n0.000000 11.290148 0.000000\n0.000000 0.000000 8.772933\nZr Cu Sb\n16 4 28\ndirect\n0.500000 0.500000 0.301278 Zr\n0.000000 0.000000 0.301278 Zr\n0.745741 0.245741 0.293307 Zr\n0.254259 0.754259 0.293307 Zr\n0.245741 0.254259 0.293307 Zr\n0.754259 0.745741 0.293307 Zr\n0.000000 0.500000 0.284848 Zr\n0.500000 0.000000 0.284848 Zr\n0.004926 0.248797 0.820390 Zr\n0.995074 0.751203 0.820390 Zr\n0.504926 0.251203 0.820390 Zr\n0.495074 0.748797 0.820390 Zr\n0.751203 0.004926 0.820390 Zr\n0.248797 0.995074 0.820390 Zr\n0.748797 0.504926 0.820390 Zr\n0.251203 0.495074 0.820390 Zr\n0.874119 0.374119 0.552089 Cu\n0.125881 0.625881 0.552089 Cu\n0.374119 0.125881 0.552089 Cu\n0.625881 0.874119 0.552089 Cu\n0.000000 0.500000 0.933094 Sb\n0.500000 0.000000 0.933094 Sb\n0.500000 0.500000 0.947097 Sb\n0.000000 0.000000 0.947097 Sb\n0.253156 0.246844 0.942003 Sb\n0.746844 0.753156 0.942003 Sb\n0.753156 0.253156 0.942003 Sb\n0.246844 0.746844 0.942003 Sb\n0.108047 0.391953 0.557889 Sb\n0.891953 0.608047 0.557889 Sb\n0.608047 0.108047 0.557889 Sb\n0.391953 0.891953 0.557889 Sb\n0.497182 0.250846 0.174884 Sb\n0.502818 0.749154 0.174884 Sb\n0.997182 0.249154 0.174884 Sb\n0.002818 0.750846 0.174884 Sb\n0.749154 0.497182 0.174884 Sb\n0.250846 0.502818 0.174884 Sb\n0.750846 0.997182 0.174884 Sb\n0.249154 0.002818 0.174884 Sb\n0.642780 0.375160 0.556852 Sb\n0.357220 0.624840 0.556852 Sb\n0.142780 0.124840 0.556852 Sb\n0.857220 0.875160 0.556852 Sb\n0.624840 0.642780 0.556852 Sb\n0.375160 0.357220 0.556852 Sb\n0.875160 0.142780 0.556852 Sb\n0.124840 0.857220 0.556852 Sb\n",
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"formula_full": "Zr16 Cu4 Sb28",
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},
{
"id": "mp-1193346",
"created_at": "2022-09-04T14:48:09.347687Z",
"structure_string": "Zr16 Co8 N4\n1.0\n0.000000 6.099517 6.099517\n6.099517 0.000000 6.099517\n6.099517 6.099517 0.000000\nZr Co N\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.815028 0.815028 0.184972 Zr\n0.184972 0.184972 0.815028 Zr\n0.815028 0.184972 0.815028 Zr\n0.184972 0.815028 0.184972 Zr\n0.184972 0.815028 0.815028 Zr\n0.815028 0.184972 0.184972 Zr\n0.434972 0.434972 0.065028 Zr\n0.065028 0.065028 0.434972 Zr\n0.434972 0.065028 0.434972 Zr\n0.065028 0.434972 0.065028 Zr\n0.065028 0.434972 0.434972 Zr\n0.434972 0.065028 0.065028 Zr\n0.763042 0.412319 0.412319 Co\n0.412319 0.763042 0.412319 Co\n0.412319 0.412319 0.763042 Co\n0.412319 0.412319 0.412319 Co\n0.486958 0.837681 0.837681 Co\n0.837681 0.486958 0.837681 Co\n0.837681 0.837681 0.486958 Co\n0.837681 0.837681 0.837681 Co\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n",
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},
{
"id": "mp-1191437",
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"structure_string": "Zr16 Co8\n1.0\n0.000000 6.124814 6.124814\n6.124814 0.000000 6.124814\n6.124814 6.124814 0.000000\nZr Co\n16 8\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.812208 0.812208 0.187792 Zr\n0.187792 0.187792 0.812208 Zr\n0.812208 0.187792 0.812208 Zr\n0.187792 0.812208 0.187792 Zr\n0.187792 0.812208 0.812208 Zr\n0.812208 0.187792 0.187792 Zr\n0.437792 0.437792 0.062208 Zr\n0.062208 0.062208 0.437792 Zr\n0.437792 0.062208 0.437792 Zr\n0.062208 0.437792 0.062208 Zr\n0.062208 0.437792 0.437792 Zr\n0.437792 0.062208 0.062208 Zr\n0.792726 0.402425 0.402425 Co\n0.402425 0.792726 0.402425 Co\n0.402425 0.402425 0.792726 Co\n0.402425 0.402425 0.402425 Co\n0.457274 0.847575 0.847575 Co\n0.847575 0.457274 0.847575 Co\n0.847575 0.847575 0.457274 Co\n0.847575 0.847575 0.847575 Co\n",
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},
{
"id": "mp-1261118",
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"structure_string": "Zr16 Al4 Ni8\n1.0\n8.086391 -0.077429 4.748716\n2.663809 7.559889 4.677551\n0.082450 -0.028332 9.353633\nZr Al Ni\n16 4 8\ndirect\n0.149125 0.601411 0.599851 Zr\n0.000049 0.000316 0.000112 Zr\n0.852685 0.397803 0.853903 Zr\n0.146356 0.603114 0.144990 Zr\n0.398175 0.398955 0.852312 Zr\n0.602878 0.601964 0.146566 Zr\n0.850070 0.399533 0.400817 Zr\n0.148694 0.147823 0.600338 Zr\n0.603773 0.147014 0.601222 Zr\n0.397251 0.853198 0.853669 Zr\n0.396910 0.852212 0.399509 Zr\n0.000161 0.000469 0.499312 Zr\n0.498723 0.000259 0.000704 Zr\n0.000477 0.498773 0.000266 Zr\n0.603591 0.146160 0.145169 Zr\n0.850724 0.851460 0.400281 Zr\n0.499614 0.499806 0.000827 Al\n0.499869 0.000814 0.499499 Al\n0.000791 0.499801 0.499595 Al\n0.499818 0.499771 0.499614 Al\n0.799514 0.801355 0.096660 Ni\n0.903976 0.197502 0.200308 Ni\n0.800891 0.800152 0.802709 Ni\n0.196840 0.902525 0.198927 Ni\n0.801774 0.096641 0.802165 Ni\n0.199164 0.200549 0.198220 Ni\n0.096626 0.802726 0.799337 Ni\n0.201484 0.197898 0.903120 Ni\n",
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},
{
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