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{
"id": "mp-1209459",
"created_at": "2022-09-04T14:39:08.918725Z",
"structure_string": "Rb4 In12 O20\n1.0\n0.000000 -3.342229 0.000000\n-9.812547 0.000000 0.000000\n0.000000 0.000000 -17.024601\nRb In O\n4 12 20\ndirect\n0.750000 0.500882 0.384147 Rb\n0.250000 0.499118 0.615853 Rb\n0.250000 0.999118 0.884147 Rb\n0.750000 0.000882 0.115853 Rb\n0.750000 0.844967 0.302733 In\n0.250000 0.155033 0.697267 In\n0.250000 0.655033 0.802733 In\n0.750000 0.344967 0.197267 In\n0.750000 0.651414 0.976779 In\n0.250000 0.348586 0.023221 In\n0.250000 0.848586 0.476779 In\n0.750000 0.151414 0.523221 In\n0.750000 0.861849 0.647926 In\n0.250000 0.138151 0.352074 In\n0.250000 0.638151 0.147926 In\n0.750000 0.361849 0.852074 In\n0.750000 0.997229 0.424018 O\n0.250000 0.002771 0.575982 O\n0.250000 0.502771 0.924018 O\n0.750000 0.497229 0.075982 O\n0.750000 0.750598 0.535259 O\n0.250000 0.249402 0.464741 O\n0.250000 0.749402 0.035259 O\n0.750000 0.250598 0.964741 O\n0.750000 0.745907 0.191678 O\n0.250000 0.254093 0.808322 O\n0.250000 0.754093 0.691678 O\n0.750000 0.245907 0.308322 O\n0.750000 0.755940 0.867444 O\n0.250000 0.244060 0.132556 O\n0.250000 0.744060 0.367444 O\n0.750000 0.255940 0.632556 O\n0.750000 0.523418 0.769089 O\n0.250000 0.476582 0.230911 O\n0.250000 0.976582 0.269089 O\n0.750000 0.023418 0.730911 O\n",
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},
{
"id": "mp-1026668",
"created_at": "2022-09-04T14:39:08.941364Z",
"structure_string": "Hf1 Mg14 Si1\n1.0\n6.273888 0.000000 -0.000000\n-3.136944 5.433346 -0.000000\n-0.000000 0.000000 10.213761\nHf Mg Si\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Hf\n0.164494 0.832247 0.125000 Mg\n0.171361 0.835680 0.625000 Mg\n0.667753 0.335506 0.125000 Mg\n0.664320 0.328639 0.625000 Mg\n0.667753 0.832247 0.125000 Mg\n0.664320 0.835680 0.625000 Mg\n0.328120 0.171880 0.373391 Mg\n0.328120 0.171880 0.876609 Mg\n0.328120 0.656242 0.373391 Mg\n0.328120 0.656242 0.876609 Mg\n0.843758 0.171880 0.373391 Mg\n0.843758 0.171880 0.876609 Mg\n0.833333 0.666667 0.380679 Mg\n0.833333 0.666667 0.869321 Mg\n0.166667 0.333333 0.125000 Si\n",
"nsites": 16,
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"elements": [
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"density": 2.6080981148537625,
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"volume": 348.1687713252787,
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"formula_full": "Hf1 Mg14 Si1",
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"energy": -36.78750242,
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"spacegroup": 187
},
{
"id": "mp-1206817",
"created_at": "2022-09-04T14:39:09.032708Z",
"structure_string": "Tl2 V2 Cl6\n1.0\n3.519656 -6.096222 0.000000\n3.519656 6.096222 0.000000\n0.000000 0.000000 6.258046\nTl V Cl\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.158535 0.317071 0.250000 Cl\n0.841465 0.682929 0.750000 Cl\n0.682929 0.841465 0.250000 Cl\n0.317071 0.158535 0.750000 Cl\n0.158535 0.841465 0.250000 Cl\n0.841465 0.158535 0.750000 Cl\n",
"nsites": 10,
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"volume": 268.55283392243336,
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"formula_full": "Tl2 V2 Cl6",
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"spacegroup": 194
},
{
"id": "mp-1110904",
"created_at": "2022-09-04T14:39:09.036343Z",
"structure_string": "Na2 Li1 In1 F6\n1.0\n0.000000 4.090900 4.090900\n4.090900 0.000000 4.090900\n4.090900 4.090900 0.000000\nNa Li In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.254680 0.254680 0.745320 F\n0.254680 0.745320 0.745320 F\n0.745320 0.745320 0.254680 F\n0.254680 0.745320 0.254680 F\n0.745320 0.254680 0.745320 F\n0.745320 0.254680 0.254680 F\n",
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"density_atomic": 0.07303203694775144,
"volume": 136.92620961885805,
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"updated_at": "2021-11-28T01:34:24.278000Z",
"spacegroup": 225
},
{
"id": "mp-867253",
"created_at": "2022-09-04T14:39:14.062120Z",
"structure_string": "Li1 Zn2 Ir1\n1.0\n0.000000 3.027040 3.027040\n3.027040 0.000000 3.027040\n3.027040 3.027040 0.000000\nLi Zn Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Ir\n",
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"density": 9.877498579414267,
"density_atomic": 0.07210668269509182,
"volume": 55.47336045001933,
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"formula_full": "Li1 Zn2 Ir1",
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"formula_anonymous": "ABC2",
"energy": -14.67637005,
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"updated_at": "2021-11-28T01:34:40.768000Z",
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{
"id": "mp-1202294",
"created_at": "2022-09-04T14:39:08.929973Z",
"structure_string": "Ni8 P16 H16 O56\n1.0\n12.797851 0.000000 0.000000\n0.000000 9.285836 0.000000\n0.000000 2.819705 9.264379\nNi P H O\n8 16 16 56\ndirect\n0.245315 0.750125 0.248413 Ni\n0.745315 0.249875 0.251587 Ni\n0.754685 0.249875 0.751587 Ni\n0.254685 0.750125 0.748413 Ni\n0.411639 0.748021 0.003363 Ni\n0.911639 0.251979 0.496637 Ni\n0.588361 0.251979 0.996637 Ni\n0.088361 0.748021 0.503363 Ni\n0.292403 0.520377 0.561505 P\n0.792403 0.479623 0.938495 P\n0.707597 0.479623 0.438495 P\n0.207597 0.520377 0.061505 P\n0.039040 0.539576 0.280787 P\n0.539040 0.460424 0.219213 P\n0.960960 0.460424 0.719213 P\n0.460960 0.539576 0.780787 P\n0.219023 0.987346 0.932541 P\n0.719023 0.012654 0.567459 P\n0.780977 0.012654 0.067459 P\n0.280977 0.987346 0.432541 P\n0.445755 0.976665 0.211433 P\n0.945755 0.023335 0.288567 P\n0.554245 0.023335 0.788567 P\n0.054245 0.976665 0.711433 P\n0.893287 0.547342 0.164521 H\n0.393287 0.452658 0.335479 H\n0.106713 0.452658 0.835479 H\n0.606713 0.547342 0.664521 H\n0.589078 0.975369 0.342319 H\n0.089078 0.024631 0.157681 H\n0.410922 0.024631 0.657681 H\n0.910922 0.975369 0.842319 H\n0.244421 0.299516 0.697946 H\n0.744421 0.700484 0.802054 H\n0.755579 0.700484 0.302054 H\n0.255579 0.299516 0.197946 H\n0.336811 0.150251 0.967811 H\n0.836811 0.849749 0.532189 H\n0.663189 0.849749 0.032189 H\n0.163189 0.150251 0.467811 H\n0.387623 0.849546 0.173300 O\n0.887623 0.150454 0.326700 O\n0.612377 0.150454 0.826700 O\n0.112377 0.849546 0.673300 O\n0.102305 0.657635 0.327131 O\n0.602305 0.342365 0.172869 O\n0.897695 0.342365 0.672869 O\n0.397695 0.657635 0.827131 O\n0.320297 0.574321 0.403128 O\n0.820297 0.425679 0.096872 O\n0.679703 0.425679 0.596872 O\n0.179703 0.574321 0.903128 O\n0.172427 0.923726 0.082235 O\n0.672427 0.076274 0.417765 O\n0.827573 0.076274 0.917765 O\n0.327573 0.923726 0.582235 O\n0.281419 0.622819 0.113615 O\n0.781419 0.377181 0.386385 O\n0.718581 0.377181 0.886385 O\n0.218581 0.622819 0.613615 O\n0.371040 0.040290 0.315797 O\n0.871040 0.959710 0.184203 O\n0.628960 0.959710 0.684203 O\n0.128960 0.040290 0.815797 O\n0.938384 0.617624 0.200303 O\n0.438384 0.382376 0.299697 O\n0.061616 0.382376 0.799697 O\n0.561616 0.617624 0.700303 O\n0.541910 0.907130 0.306569 O\n0.041910 0.092870 0.193431 O\n0.458090 0.092870 0.693431 O\n0.958090 0.907130 0.806569 O\n0.209642 0.879462 0.383924 O\n0.709642 0.120538 0.116076 O\n0.790358 0.120538 0.616076 O\n0.290358 0.879462 0.883924 O\n0.532714 0.889162 0.916580 O\n0.032714 0.110838 0.583420 O\n0.467286 0.110838 0.083420 O\n0.967286 0.889162 0.416580 O\n0.396724 0.499881 0.653143 O\n0.896724 0.500119 0.846857 O\n0.603276 0.500119 0.346857 O\n0.103276 0.499881 0.153143 O\n0.520649 0.605769 0.105622 O\n0.020649 0.394231 0.394378 O\n0.479351 0.394231 0.894378 O\n0.979351 0.605769 0.605622 O\n0.247683 0.355295 0.595050 O\n0.747683 0.644705 0.904950 O\n0.752317 0.644705 0.404950 O\n0.252317 0.355295 0.095050 O\n0.273966 0.145818 0.908726 O\n0.773966 0.854182 0.591274 O\n0.726034 0.854182 0.091274 O\n0.226034 0.145818 0.408726 O\n",
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{
"id": "mp-1393890",
"created_at": "2022-09-04T14:39:09.053348Z",
"structure_string": "Zn2 Cr2 F10\n1.0\n3.176818 4.285845 0.000000\n-3.176818 4.285845 0.000000\n0.000000 3.268366 6.732339\nZn Cr F\n2 2 10\ndirect\n0.517529 0.482471 0.750000 Zn\n0.482471 0.517529 0.250000 Zn\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.095590 0.904410 0.250000 F\n0.904410 0.095590 0.750000 F\n0.220309 0.279755 0.369246 F\n0.720245 0.779691 0.130754 F\n0.712824 0.314332 0.037402 F\n0.685668 0.287176 0.462598 F\n0.287176 0.685668 0.962598 F\n0.314332 0.712824 0.537402 F\n0.279755 0.220309 0.869246 F\n0.779691 0.720245 0.630754 F\n",
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"formula_full": "Zn2 Cr2 F10",
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{
"id": "mp-1224819",
"created_at": "2022-09-04T14:39:09.060013Z",
"structure_string": "Ga3 Si1 Ni4\n1.0\n3.233706 -3.285687 0.000000\n3.233706 3.285687 0.000000\n-0.104798 0.000000 4.608862\nGa Si Ni\n3 1 4\ndirect\n0.342674 0.157454 0.653079 Ga\n0.157454 0.653079 0.342674 Ga\n0.653079 0.342674 0.157454 Ga\n0.841461 0.841461 0.841461 Si\n0.134544 0.134544 0.134544 Ni\n0.653628 0.857254 0.359906 Ni\n0.857254 0.359906 0.653628 Ni\n0.359906 0.653628 0.857254 Ni\n",
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"formula_full": "Ga3 Si1 Ni4",
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{
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"structure_string": "Tb10 Bi2 Pd4\n1.0\n-3.940622 3.940622 6.875902\n3.940622 -3.940622 6.875902\n3.940622 3.940622 -6.875902\nTb Bi Pd\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.795284 0.295284 0.810884 Tb\n0.204716 0.704716 0.189116 Tb\n0.484400 0.984400 0.189116 Tb\n0.295284 0.484400 0.500000 Tb\n0.015600 0.204716 0.500000 Tb\n0.515600 0.015600 0.810884 Tb\n0.704716 0.515600 0.500000 Tb\n0.984400 0.795284 0.500000 Tb\n0.250000 0.250000 0.000000 Bi\n0.750000 0.750000 0.000000 Bi\n0.135769 0.635769 0.771538 Pd\n0.864231 0.364231 0.228462 Pd\n0.635769 0.864231 0.500000 Pd\n0.364231 0.135769 0.500000 Pd\n",
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{
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"formula_full": "Mg2 Sn2 F10",
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},
{
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"created_at": "2022-09-04T14:39:09.092615Z",
"structure_string": "Mg6 Si8\n1.0\n7.193743 0.221927 -6.360359\n2.477188 6.626099 -5.690230\n0.339029 -0.604603 5.712904\nMg Si\n6 8\ndirect\n0.378954 0.968925 0.926648 Mg\n0.617408 0.503060 0.367197 Mg\n0.732738 0.142875 0.718885 Mg\n0.968656 0.073767 0.407986 Mg\n0.062666 0.345287 0.430143 Mg\n0.130314 0.765037 0.741480 Mg\n0.097932 0.378993 0.016143 Si\n0.598622 0.095551 0.958185 Si\n0.838334 0.733851 0.881703 Si\n0.192447 0.640747 0.140193 Si\n0.423718 0.370945 0.344484 Si\n0.531809 0.605087 0.955198 Si\n0.812846 0.684469 0.217094 Si\n0.367324 0.945018 0.401881 Si\n",
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"formula_full": "Mg6 Si8",
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{
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"created_at": "2022-09-04T14:39:07.325210Z",
"structure_string": "Cr2 Fe3 Sb1 P6 O24\n1.0\n7.405792 -4.333160 0.000000\n7.405792 4.333160 0.000000\n4.870443 0.000000 7.064051\nCr Fe Sb P O\n2 3 1 6 24\ndirect\n0.995822 0.995822 0.995822 Cr\n0.501762 0.501762 0.501762 Cr\n0.853579 0.853579 0.853579 Fe\n0.643724 0.643724 0.643724 Fe\n0.355500 0.355500 0.355500 Fe\n0.143876 0.143876 0.143876 Sb\n0.253508 0.546745 0.950888 P\n0.745636 0.459970 0.049242 P\n0.459970 0.049242 0.745636 P\n0.049242 0.745636 0.459970 P\n0.950888 0.253508 0.546745 P\n0.546745 0.950888 0.253508 P\n0.899533 0.685104 0.485368 O\n0.685104 0.485368 0.899533 O\n0.940662 0.089749 0.739191 O\n0.485368 0.899533 0.685104 O\n0.990375 0.182794 0.388964 O\n0.753229 0.407019 0.556007 O\n0.739191 0.940662 0.089749 O\n0.556007 0.753229 0.407019 O\n0.818783 0.609910 0.008695 O\n0.407019 0.556007 0.753229 O\n0.911429 0.254347 0.068622 O\n0.609910 0.008695 0.818783 O\n0.388964 0.990375 0.182794 O\n0.089749 0.739191 0.940662 O\n0.592975 0.438064 0.252830 O\n0.182794 0.388964 0.990375 O\n0.438064 0.252830 0.592975 O\n0.254347 0.068622 0.911429 O\n0.252830 0.592975 0.438064 O\n0.008695 0.818783 0.609910 O\n0.497034 0.109064 0.319995 O\n0.068622 0.911429 0.254347 O\n0.319995 0.497034 0.109064 O\n0.109064 0.319995 0.497034 O\n",
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"density": 3.527502698279455,
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"volume": 453.3775981600378,
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"formula_full": "Cr2 Fe3 Sb1 P6 O24",
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}
]
}