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{
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"structure_string": "Tl8 Te6 Pb2\n1.0\n-4.498212 4.498212 6.745637\n4.498212 -4.498212 6.745637\n4.498212 4.498212 -6.745637\nTl Te Pb\n8 6 2\ndirect\n0.010771 0.510771 0.206386 Tl\n0.695614 0.195614 0.206386 Tl\n0.304386 0.804386 0.793614 Tl\n0.804386 0.010771 0.500000 Tl\n0.510771 0.304386 0.500000 Tl\n0.195614 0.989229 0.500000 Tl\n0.489229 0.695614 0.500000 Tl\n0.989229 0.489229 0.793614 Tl\n0.164315 0.335685 0.500000 Te\n0.664315 0.164315 0.828631 Te\n0.750000 0.750000 0.000000 Te\n0.250000 0.250000 0.000000 Te\n0.335685 0.835685 0.171369 Te\n0.835685 0.664315 0.500000 Te\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:46:18.229921Z",
"structure_string": "Ba2 Nd2 Fe4 O10\n1.0\n4.039285 0.000000 0.000000\n0.000000 7.822884 0.000000\n0.000000 0.000000 8.027436\nBa Nd Fe O\n2 2 4 10\ndirect\n0.000000 0.003312 0.002684 Ba\n0.000000 0.996688 0.502684 Ba\n0.000000 0.498328 0.002569 Nd\n0.000000 0.501672 0.502569 Nd\n0.500000 0.256304 0.254663 Fe\n0.500000 0.272555 0.751615 Fe\n0.500000 0.727445 0.251615 Fe\n0.500000 0.743696 0.754663 Fe\n0.000000 0.693957 0.753635 O\n0.500000 0.305890 0.009803 O\n0.000000 0.691857 0.252754 O\n0.000000 0.308143 0.752754 O\n0.500000 0.011927 0.255614 O\n0.000000 0.306043 0.253635 O\n0.500000 0.686192 0.997464 O\n0.500000 0.694110 0.509803 O\n0.500000 0.988073 0.755614 O\n0.500000 0.313808 0.497464 O\n",
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"elements": [
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"formula_full": "Ba2 Nd2 Fe4 O10",
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"updated_at": "2021-11-28T01:37:32.339000Z",
"spacegroup": 26
},
{
"id": "mp-17201",
"created_at": "2022-09-04T14:46:16.806518Z",
"structure_string": "Er8 W4 O24\n1.0\n5.358606 0.000000 0.000000\n0.000000 7.662992 0.000000\n0.000000 2.886459 11.031694\nEr W O\n8 4 24\ndirect\n0.183523 0.205758 0.421743 Er\n0.183523 0.794242 0.078257 Er\n0.816477 0.794242 0.578257 Er\n0.816477 0.205758 0.921743 Er\n0.684150 0.500000 0.250000 Er\n0.315850 0.500000 0.750000 Er\n0.740176 0.000000 0.250000 Er\n0.259824 0.000000 0.750000 Er\n0.256064 0.276557 0.114796 W\n0.256064 0.723443 0.385204 W\n0.743936 0.723443 0.885204 W\n0.743936 0.276557 0.614796 W\n0.459090 0.208363 0.273760 O\n0.459090 0.791637 0.226240 O\n0.540910 0.791637 0.726240 O\n0.540910 0.208363 0.773760 O\n0.043501 0.059523 0.104609 O\n0.043501 0.940477 0.395391 O\n0.956499 0.940477 0.895391 O\n0.956499 0.059523 0.604609 O\n0.979091 0.289745 0.228940 O\n0.979091 0.710255 0.271060 O\n0.020909 0.710255 0.771060 O\n0.020909 0.289745 0.728940 O\n0.848719 0.366018 0.450788 O\n0.848719 0.633982 0.049212 O\n0.151281 0.633982 0.549212 O\n0.151281 0.366018 0.950788 O\n0.637999 0.511131 0.614905 O\n0.637999 0.488869 0.885095 O\n0.362001 0.488869 0.385095 O\n0.362001 0.511131 0.114905 O\n0.463766 0.152791 0.569409 O\n0.463766 0.847209 0.930591 O\n0.536234 0.847209 0.430591 O\n0.536234 0.152791 0.069409 O\n",
"nsites": 36,
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"elements": [
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"formula_full": "Er8 W4 O24",
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"spacegroup": 13
},
{
"id": "mp-561129",
"created_at": "2022-09-04T14:46:18.260481Z",
"structure_string": "Pr2 Mo12 O24\n1.0\n-5.134583 5.134583 4.954767\n5.134583 -5.134583 4.954767\n5.134583 5.134583 -4.954767\nPr Mo O\n2 12 24\ndirect\n0.744852 0.744852 0.000000 Pr\n0.255148 0.255148 0.000000 Pr\n0.497946 0.019516 0.184279 Mo\n0.313667 0.497946 0.478429 Mo\n0.019516 0.835238 0.521571 Mo\n0.835238 0.313667 0.815721 Mo\n0.502054 0.980484 0.815721 Mo\n0.686333 0.502054 0.521571 Mo\n0.980484 0.164762 0.478429 Mo\n0.164762 0.686333 0.184279 Mo\n0.822450 0.355247 0.177697 Mo\n0.644753 0.822450 0.467203 Mo\n0.355247 0.177550 0.532797 Mo\n0.177550 0.644753 0.822303 Mo\n0.820458 0.106914 0.607798 O\n0.212661 0.820458 0.713545 O\n0.106914 0.499116 0.286455 O\n0.499116 0.212661 0.392202 O\n0.179542 0.893086 0.392202 O\n0.787339 0.179542 0.286455 O\n0.893086 0.500884 0.713545 O\n0.500884 0.787339 0.607798 O\n0.807473 0.852178 0.318377 O\n0.489096 0.807473 0.955295 O\n0.852178 0.533801 0.044705 O\n0.533801 0.489096 0.681623 O\n0.192527 0.147822 0.681623 O\n0.510904 0.192527 0.044705 O\n0.147822 0.466199 0.955295 O\n0.466199 0.510904 0.318377 O\n0.165920 0.455446 0.621366 O\n0.544554 0.165920 0.710474 O\n0.455446 0.834080 0.289526 O\n0.834080 0.544554 0.378634 O\n0.803204 0.153554 0.956758 O\n0.846446 0.803204 0.649651 O\n0.153554 0.196796 0.350349 O\n0.196796 0.846446 0.043242 O\n",
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"elements": [
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"Mo",
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],
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"density": 5.774704636819533,
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"volume": 522.5087708181919,
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"formula_full": "Pr2 Mo12 O24",
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},
{
"id": "mp-1200091",
"created_at": "2022-09-04T14:46:15.039507Z",
"structure_string": "Zn12 P8 O48\n1.0\n5.151803 0.000000 0.000000\n0.000000 10.863316 0.000000\n0.000000 0.000000 18.290138\nZn P O\n12 8 48\ndirect\n0.035132 0.831398 0.250000 Zn\n0.464868 0.331398 0.250000 Zn\n0.964868 0.168602 0.750000 Zn\n0.535132 0.668602 0.750000 Zn\n0.206334 0.643899 0.004743 Zn\n0.293666 0.143899 0.495257 Zn\n0.793666 0.356101 0.504743 Zn\n0.706334 0.856101 0.995257 Zn\n0.793666 0.356101 0.995257 Zn\n0.706334 0.856101 0.504743 Zn\n0.206334 0.643899 0.495257 Zn\n0.293666 0.143899 0.004743 Zn\n0.219521 0.896320 0.090751 P\n0.280479 0.396320 0.409249 P\n0.780479 0.103680 0.590751 P\n0.719521 0.603680 0.909249 P\n0.780479 0.103680 0.909249 P\n0.719521 0.603680 0.590751 P\n0.219521 0.896320 0.409249 P\n0.280479 0.396320 0.090751 P\n0.357482 0.806938 0.034807 O\n0.142518 0.306938 0.465193 O\n0.642518 0.193062 0.534807 O\n0.857482 0.693062 0.965193 O\n0.642518 0.193062 0.965193 O\n0.857482 0.693062 0.534807 O\n0.357482 0.806938 0.465193 O\n0.142518 0.306938 0.034807 O\n0.340969 0.024701 0.082115 O\n0.159031 0.524701 0.417885 O\n0.659031 0.975299 0.582115 O\n0.840969 0.475299 0.917885 O\n0.659031 0.975299 0.917885 O\n0.840969 0.475299 0.582115 O\n0.340969 0.024701 0.417885 O\n0.159031 0.524701 0.082115 O\n0.268182 0.844691 0.168725 O\n0.231818 0.344691 0.331275 O\n0.731818 0.155309 0.668725 O\n0.768182 0.655309 0.831275 O\n0.731818 0.155309 0.831275 O\n0.768182 0.655309 0.668725 O\n0.268182 0.844691 0.331275 O\n0.231818 0.344691 0.168725 O\n0.924991 0.895821 0.077731 O\n0.575009 0.395821 0.422269 O\n0.075009 0.104179 0.577731 O\n0.424991 0.604179 0.922269 O\n0.075009 0.104179 0.922269 O\n0.424991 0.604179 0.577731 O\n0.924991 0.895821 0.422269 O\n0.575009 0.395821 0.077731 O\n0.767573 0.667246 0.190191 O\n0.732427 0.167246 0.309809 O\n0.232427 0.332754 0.690191 O\n0.267573 0.832754 0.809809 O\n0.232427 0.332754 0.809809 O\n0.267573 0.832754 0.690191 O\n0.767573 0.667246 0.309809 O\n0.732427 0.167246 0.190191 O\n0.692751 0.900797 0.250000 O\n0.807249 0.400797 0.250000 O\n0.307249 0.099203 0.750000 O\n0.192751 0.599203 0.750000 O\n0.664016 0.627124 0.250000 O\n0.835984 0.127124 0.250000 O\n0.335984 0.372876 0.750000 O\n0.164016 0.872876 0.750000 O\n",
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{
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{
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