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{
"id": "mp-1208199",
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"structure_string": "Ti1 C3\n1.0\n-1.305831 -2.261765 0.000000\n-3.399925 3.470791 0.000000\n0.000000 0.000000 -4.082237\nTi C\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.000000 0.500000 0.000000 C\n",
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{
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"structure_string": "Nd4 Sn16 Rh8\n1.0\n4.525941 0.000000 0.000000\n0.000000 7.258092 0.000000\n0.000000 0.000000 18.707040\nNd Sn Rh\n4 16 8\ndirect\n0.250000 0.002425 0.858211 Nd\n0.750000 0.997575 0.141789 Nd\n0.750000 0.502425 0.641789 Nd\n0.250000 0.497575 0.358211 Nd\n0.250000 0.277518 0.194700 Sn\n0.750000 0.983347 0.568208 Sn\n0.750000 0.302088 0.817903 Sn\n0.250000 0.134704 0.031482 Sn\n0.750000 0.197912 0.317903 Sn\n0.250000 0.483347 0.931792 Sn\n0.750000 0.865296 0.968518 Sn\n0.250000 0.365296 0.531482 Sn\n0.250000 0.697912 0.182097 Sn\n0.750000 0.516653 0.068208 Sn\n0.750000 0.722482 0.805300 Sn\n0.250000 0.016653 0.431792 Sn\n0.750000 0.777518 0.305300 Sn\n0.750000 0.634704 0.468518 Sn\n0.250000 0.222482 0.694700 Sn\n0.250000 0.802088 0.682097 Sn\n0.250000 0.517343 0.786211 Rh\n0.250000 0.750211 0.035003 Rh\n0.750000 0.250211 0.464997 Rh\n0.250000 0.982657 0.286211 Rh\n0.250000 0.749789 0.535003 Rh\n0.750000 0.249789 0.964997 Rh\n0.750000 0.017343 0.713789 Rh\n0.750000 0.482657 0.213789 Rh\n",
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},
{
"id": "mp-1245176",
"created_at": "2022-09-04T14:40:15.977399Z",
"structure_string": "Ti75 O25\n1.0\n10.904464 0.659829 0.229149\n0.629932 12.376548 -0.124692\n0.257646 -0.061649 10.673425\nTi O\n75 25\ndirect\n0.542634 0.933747 0.490675 Ti\n0.134561 0.048452 0.603047 Ti\n0.691480 0.531233 0.566099 Ti\n0.853137 0.652638 0.148364 Ti\n0.508500 0.299881 0.599957 Ti\n0.160871 0.310502 0.945456 Ti\n0.573017 0.550663 0.344449 Ti\n0.987339 0.252145 0.171825 Ti\n0.699957 0.792300 0.838942 Ti\n0.231979 0.818055 0.190861 Ti\n0.033566 0.758168 0.743924 Ti\n0.761789 0.920119 0.625209 Ti\n0.119702 0.530705 0.791389 Ti\n0.089669 0.632154 0.270875 Ti\n0.264990 0.359994 0.663503 Ti\n0.902757 0.254673 0.419303 Ti\n0.969230 0.692499 0.492308 Ti\n0.951130 0.850375 0.276524 Ti\n0.689447 0.558883 0.870525 Ti\n0.874011 0.046139 0.137351 Ti\n0.294744 0.680679 0.714357 Ti\n0.749385 0.336000 0.672118 Ti\n0.303680 0.478081 0.984517 Ti\n0.989260 0.905732 0.553523 Ti\n0.961201 0.177181 0.935678 Ti\n0.224987 0.879056 0.836829 Ti\n0.050474 0.481957 0.079802 Ti\n0.719807 0.738936 0.390746 Ti\n0.937541 0.984177 0.818705 Ti\n0.191752 0.567401 0.510755 Ti\n0.249262 0.146174 0.154200 Ti\n0.624074 0.115632 0.729184 Ti\n0.868102 0.612350 0.705837 Ti\n0.371137 0.113983 0.609144 Ti\n0.874142 0.495170 0.344228 Ti\n0.697154 0.013907 0.948853 Ti\n0.348439 0.576112 0.221851 Ti\n0.657984 0.978231 0.264262 Ti\n0.066229 0.247397 0.713389 Ti\n0.582869 0.620143 0.119305 Ti\n0.415398 0.690089 0.928548 Ti\n0.117391 0.389766 0.306481 Ti\n0.659493 0.152460 0.465890 Ti\n0.331435 0.984265 0.340797 Ti\n0.914731 0.397073 0.855300 Ti\n0.394269 0.690032 0.444328 Ti\n0.424198 0.243069 0.898217 Ti\n0.694345 0.252689 0.942812 Ti\n0.912121 0.607112 0.927904 Ti\n0.438178 0.513986 0.596271 Ti\n0.874103 0.128632 0.637042 Ti\n0.171573 0.229117 0.455059 Ti\n0.891081 0.841930 0.010253 Ti\n0.261974 0.092422 0.868002 Ti\n0.428055 0.182618 0.355372 Ti\n0.537875 0.738278 0.642680 Ti\n0.475806 0.935016 0.777898 Ti\n0.392642 0.935436 0.047729 Ti\n0.164290 0.798882 0.422022 Ti\n0.776272 0.436190 0.111658 Ti\n0.518214 0.140961 0.107895 Ti\n0.651246 0.823081 0.079281 Ti\n0.728314 0.218105 0.209550 Ti\n0.125095 0.697570 0.980911 Ti\n0.093573 -0.006036 0.042526 Ti\n0.494055 0.806872 0.269577 Ti\n0.849701 0.030380 0.404543 Ti\n0.330524 0.874040 0.574297 Ti\n0.086935 0.028405 0.322431 Ti\n0.526987 0.406967 0.118232 Ti\n0.995863 0.419525 0.573534 Ti\n0.525490 0.436979 0.825755 Ti\n0.661533 0.367571 0.395053 Ti\n0.324344 0.322044 0.156298 Ti\n0.362500 0.401289 0.404776 Ti\n0.029028 0.757714 0.138112 O\n0.818029 0.399060 0.503311 O\n0.581720 0.278129 0.774136 O\n0.442736 0.103135 0.781719 O\n0.824661 0.343764 0.265726 O\n0.591906 0.137476 0.278541 O\n0.078945 0.913589 0.710208 O\n0.222031 0.508298 0.334549 O\n0.288793 0.988003 0.710412 O\n0.193399 0.582904 0.111383 O\n0.382069 0.097493 0.009985 O\n0.262147 0.605522 0.878921 O\n0.563346 0.907220 0.936857 O\n0.664473 0.812595 0.548163 O\n0.055444 0.861455 0.926644 O\n0.901092 0.682217 0.318159 O\n0.228750 0.984557 0.173408 O\n0.597600 0.697145 0.954333 O\n0.346564 0.261176 0.512622 O\n0.466587 0.600166 0.760379 O\n0.280409 0.804436 0.004438 O\n0.040535 0.590455 0.629883 O\n0.687914 0.654672 0.717353 O\n0.823278 0.614871 0.513200 O\n0.728323 0.395385 0.867664 O\n",
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"elements": [
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"density": 4.616475500206035,
"density_atomic": 0.06967668072746587,
"volume": 1435.2003992719042,
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"formula_full": "Ti75 O25",
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{
"id": "mp-1037926",
"created_at": "2022-09-04T14:40:29.195093Z",
"structure_string": "Mg30 Mn1 Zn1 O32\n1.0\n8.541006 0.000000 0.000000\n0.000000 8.541006 0.000000\n0.000000 0.000000 8.551632\nMg Mn Zn O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.249524 0.250235 Mg\n0.000000 0.249524 0.749765 Mg\n0.000000 0.750476 0.250235 Mg\n0.000000 0.750476 0.749765 Mg\n0.500000 0.249816 0.250167 Mg\n0.500000 0.249816 0.749833 Mg\n0.500000 0.750184 0.250167 Mg\n0.500000 0.750184 0.749833 Mg\n0.249524 0.000000 0.250235 Mg\n0.249524 0.000000 0.749765 Mg\n0.249816 0.500000 0.250167 Mg\n0.249816 0.500000 0.749833 Mg\n0.750476 0.000000 0.250235 Mg\n0.750476 0.000000 0.749765 Mg\n0.750184 0.500000 0.250167 Mg\n0.750184 0.500000 0.749833 Mg\n0.250162 0.250162 0.000000 Mg\n0.249811 0.249811 0.500000 Mg\n0.250162 0.749838 0.000000 Mg\n0.249811 0.750189 0.500000 Mg\n0.749838 0.250162 0.000000 Mg\n0.750189 0.249811 0.500000 Mg\n0.749838 0.749838 0.000000 Mg\n0.750189 0.750189 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Zn\n0.253431 0.000000 0.000000 O\n0.254089 0.000000 0.500000 O\n0.249999 0.500000 0.000000 O\n0.250375 0.500000 0.500000 O\n0.746569 0.000000 0.000000 O\n0.745911 0.000000 0.500000 O\n0.750001 0.500000 0.000000 O\n0.749625 0.500000 0.500000 O\n0.249675 0.249675 0.249832 O\n0.249675 0.249675 0.750168 O\n0.249675 0.750325 0.249832 O\n0.249675 0.750325 0.750168 O\n0.750325 0.249675 0.249832 O\n0.750325 0.249675 0.750168 O\n0.750325 0.750325 0.249832 O\n0.750325 0.750325 0.750168 O\n0.000000 0.000000 0.253524 O\n0.000000 0.000000 0.746476 O\n0.000000 0.500000 0.249508 O\n0.000000 0.500000 0.750492 O\n0.500000 0.000000 0.249508 O\n0.500000 0.000000 0.750492 O\n0.500000 0.500000 0.249825 O\n0.500000 0.500000 0.750175 O\n0.000000 0.253431 0.000000 O\n0.000000 0.254089 0.500000 O\n0.000000 0.746569 0.000000 O\n0.000000 0.745911 0.500000 O\n0.500000 0.249999 0.000000 O\n0.500000 0.250375 0.500000 O\n0.500000 0.750001 0.000000 O\n0.500000 0.749625 0.500000 O\n",
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{
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"structure_string": "Ti4 Zn2 O8\n1.0\n0.000000 4.272032 4.272032\n4.272032 0.000000 4.272032\n4.272032 4.272032 0.000000\nTi Zn O\n4 2 8\ndirect\n0.625000 0.625000 0.125000 Ti\n0.625000 0.125000 0.625000 Ti\n0.625000 0.625000 0.625000 Ti\n0.125000 0.625000 0.625000 Ti\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 Zn\n0.866113 0.401662 0.866113 O\n0.866113 0.866113 0.866113 O\n0.401662 0.866113 0.866113 O\n0.383887 0.383887 0.848338 O\n0.848338 0.383887 0.383887 O\n0.383887 0.383887 0.383887 O\n0.866113 0.866113 0.401662 O\n0.383887 0.848338 0.383887 O\n",
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{
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{
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"structure_string": "Cu3 Ni1\n1.0\n1.407698 -2.018348 0.000000\n1.407698 2.018348 0.000000\n0.000000 0.000000 8.094515\nCu Ni\n3 1\ndirect\n0.500000 0.500000 0.755085 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.244915 Cu\n0.000000 0.000000 0.000000 Ni\n",
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{
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"structure_string": "Li4 Nb3 V2 Fe3 O16\n1.0\n6.105509 0.000000 0.000000\n-3.046209 5.328172 0.000000\n-0.184982 -0.148950 9.819758\nLi Nb V Fe O\n4 3 2 3 16\ndirect\n0.661318 0.328788 0.904102 Li\n0.983086 0.989683 0.001654 Li\n0.967612 0.984476 0.487675 Li\n0.325394 0.660424 0.383361 Li\n0.341213 0.171069 0.213508 Nb\n0.178919 0.341422 0.713297 Nb\n0.177050 0.836716 0.713385 Nb\n0.689807 0.343790 0.475522 V\n0.346701 0.681613 0.998122 V\n0.831628 0.169424 0.212681 Fe\n0.823213 0.657028 0.213110 Fe\n0.664011 0.833870 0.715102 Fe\n0.853345 0.179529 0.601882 O\n0.955360 0.469217 0.342566 O\n0.651146 0.312697 0.101004 O\n0.007888 0.013001 0.307657 O\n0.023723 0.014958 0.816171 O\n0.860011 0.682459 0.600700 O\n0.515414 0.034752 0.338540 O\n0.499446 0.457447 0.353446 O\n0.669715 0.840632 0.096270 O\n0.328707 0.164278 0.604560 O\n0.468444 0.511105 0.841419 O\n0.470299 0.963471 0.840314 O\n0.310092 0.653614 0.599248 O\n0.173412 0.331819 0.102017 O\n0.041595 0.522918 0.834013 O\n0.181452 0.849500 0.096514 O\n",
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