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{
"id": "mp-867259",
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{
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{
"id": "mp-10025",
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"structure_string": "Si4 Ru8\n1.0\n4.037645 0.000000 0.000000\n0.000000 5.325269 0.000000\n0.000000 0.000000 7.453036\nSi Ru\n4 8\ndirect\n0.250000 0.298336 0.901689 Si\n0.750000 0.701664 0.098311 Si\n0.250000 0.798336 0.598311 Si\n0.750000 0.201664 0.401689 Si\n0.750000 0.513935 0.788461 Ru\n0.250000 0.486065 0.211539 Ru\n0.750000 0.013935 0.711539 Ru\n0.250000 0.986065 0.288461 Ru\n0.250000 0.834011 0.934971 Ru\n0.750000 0.165989 0.065029 Ru\n0.250000 0.334011 0.565029 Ru\n0.750000 0.665989 0.434971 Ru\n",
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},
{
"id": "mp-11220",
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"structure_string": "Sc4 Al2\n1.0\n2.450348 -4.244127 0.000000\n2.450348 4.244127 0.000000\n0.000000 0.000000 6.171858\nSc Al\n4 2\ndirect\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.333333 0.666667 0.750000 Sc\n0.666667 0.333333 0.250000 Sc\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n",
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"spacegroup": 194
},
{
"id": "mp-1094233",
"created_at": "2022-09-04T14:46:52.214947Z",
"structure_string": "Mg2 Sn4\n1.0\n2.922457 4.845051 0.000000\n-2.922457 4.845051 0.000000\n0.000000 3.942601 5.461687\nMg Sn\n2 4\ndirect\n0.086243 0.913757 0.250000 Mg\n0.913757 0.086243 0.750000 Mg\n0.241679 0.428410 0.742320 Sn\n0.571590 0.758321 0.757680 Sn\n0.428410 0.241679 0.242320 Sn\n0.758321 0.571590 0.257680 Sn\n",
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{
"id": "mp-684640",
"created_at": "2022-09-04T14:46:41.672671Z",
"structure_string": "Mo8 Cl24\n1.0\n3.194499 -5.533034 0.000000\n3.194499 5.533034 0.000000\n0.000000 0.000000 25.161897\nMo Cl\n8 24\ndirect\n0.666667 0.333333 0.500579 Mo\n0.666667 0.333333 0.999421 Mo\n0.666667 0.333333 0.250000 Mo\n0.000000 0.000000 0.750000 Mo\n0.000000 0.000000 0.250000 Mo\n0.333333 0.666667 0.750000 Mo\n0.333333 0.666667 0.499421 Mo\n0.333333 0.666667 0.000579 Mo\n0.665413 0.974455 0.804841 Cl\n0.639250 0.999351 0.555008 Cl\n0.690958 0.025545 0.304841 Cl\n0.639899 0.000649 0.055008 Cl\n0.665413 0.690958 0.695159 Cl\n0.639250 0.639899 0.944992 Cl\n0.690958 0.665413 0.195159 Cl\n0.639899 0.639250 0.444992 Cl\n0.000649 0.360750 0.944992 Cl\n0.025545 0.334587 0.695159 Cl\n0.999351 0.360101 0.444992 Cl\n0.974455 0.309042 0.195159 Cl\n0.025545 0.690958 0.804841 Cl\n0.000649 0.639899 0.555008 Cl\n0.974455 0.665413 0.304841 Cl\n0.999351 0.639250 0.055008 Cl\n0.360101 0.360750 0.555008 Cl\n0.309042 0.334587 0.804841 Cl\n0.360750 0.360101 0.055008 Cl\n0.334587 0.309042 0.304841 Cl\n0.360101 0.999351 0.944992 Cl\n0.309042 0.974455 0.695159 Cl\n0.360750 0.000649 0.444992 Cl\n0.334587 0.025545 0.195159 Cl\n",
"nsites": 32,
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"elements": [
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"chemical_system": "Cl-Mo",
"density": 3.021296510525533,
"density_atomic": 0.035975803875193196,
"volume": 889.4867258842636,
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"formula_full": "Mo8 Cl24",
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{
"id": "mp-1008653",
"created_at": "2022-09-04T14:46:34.763818Z",
"structure_string": "Ag1 C1\n1.0\n0.000000 2.333879 2.333879\n2.333879 0.000000 2.333879\n2.333879 2.333879 0.000000\nAg C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 C\n",
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},
{
"id": "mp-1019324",
"created_at": "2022-09-04T14:46:53.208604Z",
"structure_string": "Tb2 Te4\n1.0\n4.455227 0.000000 0.000000\n0.000000 4.455227 0.000000\n0.000000 0.000000 8.942021\nTb Te\n2 4\ndirect\n0.000000 0.500000 0.728429 Tb\n0.500000 0.000000 0.271571 Tb\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.500000 0.371564 Te\n0.500000 0.000000 0.628436 Te\n",
"nsites": 6,
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"density": 7.748819594735196,
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{
"id": "mp-683947",
"created_at": "2022-09-04T14:46:55.991248Z",
"structure_string": "Si8 O16\n1.0\n2.830772 0.000000 0.000000\n1.302222 11.367616 0.000000\n1.370107 0.013341 11.527495\nSi O\n8 16\ndirect\n0.359677 0.422065 0.852275 Si\n0.735824 0.304112 0.194004 Si\n0.303181 0.848579 0.574928 Si\n0.640323 0.577935 0.147725 Si\n0.448928 0.804479 0.305278 Si\n0.551072 0.195521 0.694722 Si\n0.264176 0.695888 0.805996 Si\n0.696819 0.151421 0.425072 Si\n0.832800 0.403222 0.925344 O\n0.226642 0.075361 0.407833 O\n0.773358 0.924639 0.592167 O\n0.451759 0.328868 0.745857 O\n0.285236 0.262150 0.131911 O\n0.599395 0.210220 0.550650 O\n0.714764 0.737850 0.868089 O\n0.311819 0.742062 0.668897 O\n0.167200 0.596778 0.074656 O\n0.939269 0.868011 0.264725 O\n0.548241 0.671132 0.254143 O\n0.324410 0.554428 0.799347 O\n0.688181 0.257938 0.331103 O\n0.400605 0.789780 0.449350 O\n0.675590 0.445572 0.200653 O\n0.060731 0.131989 0.735275 O\n",
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{
"id": "mp-1120739",
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"structure_string": "Ca1 Cl2\n1.0\n0.000000 3.372247 3.372247\n3.372247 0.000000 3.372247\n3.372247 3.372247 0.000000\nCa Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Cl\n0.750000 0.750000 0.750000 Cl\n",
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{
"id": "mp-1195805",
"created_at": "2022-09-04T14:46:56.874782Z",
"structure_string": "Ga41 Mo8\n1.0\n6.496287 -7.074050 0.000000\n6.496287 7.074050 0.000000\n-1.206912 0.000000 9.528237\nGa Mo\n41 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.265869 0.634177 0.611141 Ga\n0.611141 0.265869 0.634177 Ga\n0.634177 0.611141 0.265869 Ga\n0.734131 0.365823 0.388859 Ga\n0.388859 0.734131 0.365823 Ga\n0.365823 0.388859 0.734131 Ga\n0.675226 0.778550 0.538743 Ga\n0.538743 0.675226 0.778550 Ga\n0.778550 0.538743 0.675226 Ga\n0.324774 0.221450 0.461257 Ga\n0.461257 0.324774 0.221450 Ga\n0.221450 0.461257 0.324774 Ga\n0.778064 0.074541 0.449247 Ga\n0.449247 0.778064 0.074541 Ga\n0.074541 0.449247 0.778064 Ga\n0.221936 0.925459 0.550753 Ga\n0.550753 0.221936 0.925459 Ga\n0.925459 0.550753 0.221936 Ga\n0.968668 0.786547 0.598910 Ga\n0.598910 0.968668 0.786547 Ga\n0.786547 0.598910 0.968668 Ga\n0.031332 0.213453 0.401090 Ga\n0.401090 0.031332 0.213453 Ga\n0.213453 0.401090 0.031332 Ga\n0.057068 0.739056 0.873813 Ga\n0.873813 0.057068 0.739056 Ga\n0.739056 0.873813 0.057068 Ga\n0.942932 0.260944 0.126187 Ga\n0.126187 0.942932 0.260944 Ga\n0.260944 0.126187 0.942932 Ga\n0.124417 0.176145 0.679311 Ga\n0.679311 0.124417 0.176145 Ga\n0.176145 0.679311 0.124417 Ga\n0.875583 0.823855 0.320689 Ga\n0.320689 0.875583 0.823855 Ga\n0.823855 0.320689 0.875583 Ga\n0.801685 0.801685 0.801685 Mo\n0.198315 0.198315 0.198315 Mo\n0.292500 0.612455 0.887449 Mo\n0.887449 0.292500 0.612455 Mo\n0.612455 0.887449 0.292500 Mo\n0.707500 0.387545 0.112551 Mo\n0.112551 0.707500 0.387545 Mo\n0.387545 0.112551 0.707500 Mo\n",
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{
"id": "mp-1094786",
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"structure_string": "Sr3 Mg1\n1.0\n5.650220 0.000000 0.000000\n0.000000 5.650220 0.000000\n0.000000 0.000000 5.650220\nSr Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n",
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]
}