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{
"id": "mp-1218946",
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"structure_string": "Sr4 Ca2 Cu12 B12 O36\n1.0\n-4.533298 4.530363 -3.364212\n4.534082 4.531760 3.365036\n9.068936 -0.000441 -13.460429\nSr Ca Cu B O\n4 2 12 12 36\ndirect\n0.665615 0.334145 0.165436 Sr\n0.000945 0.999001 0.501295 Sr\n0.333477 0.666789 0.833237 Sr\n0.833248 0.166554 0.333424 Sr\n0.167077 0.833444 0.666897 Ca\n0.499991 0.500177 0.999644 Ca\n0.129527 0.102663 0.128442 Cu\n0.461450 0.767060 0.463140 Cu\n0.795701 0.435634 0.796100 Cu\n0.385674 0.384689 0.385526 Cu\n0.719013 0.049693 0.718857 Cu\n0.052410 0.716140 0.051945 Cu\n0.768379 0.462527 0.538547 Cu\n0.101863 0.129019 0.870668 Cu\n0.433199 0.794528 0.203529 Cu\n0.384245 0.386055 0.614461 Cu\n0.716479 0.052385 0.947790 Cu\n0.051766 0.718942 0.281041 Cu\n0.512504 0.077303 0.515671 B\n0.846992 0.746376 0.848033 B\n0.181950 0.413326 0.179618 B\n0.316709 0.090405 0.316383 B\n0.650666 0.757311 0.649961 B\n0.983758 0.422923 0.982912 B\n0.744705 0.846109 0.150965 B\n0.079491 0.514898 0.487035 B\n0.412826 0.180411 0.818680 B\n0.423580 0.983902 0.016860 B\n0.757344 0.650093 0.350177 B\n0.090330 0.317481 0.683625 B\n0.647764 0.007342 0.468550 O\n0.981615 0.677516 0.799538 O\n0.317490 0.344672 0.131979 O\n0.188167 0.153664 0.370190 O\n0.518588 0.822273 0.701528 O\n0.852169 0.488760 0.034377 O\n0.674396 0.981409 0.198096 O\n0.010857 0.650612 0.534691 O\n0.344420 0.315366 0.867176 O\n0.820554 0.521626 0.296416 O\n0.155703 0.185697 0.632250 O\n0.488397 0.851792 0.965307 O\n0.947183 0.347815 0.471738 O\n0.279441 0.013915 0.801415 O\n0.612000 0.679342 0.134410 O\n0.881627 0.825165 0.357737 O\n0.211690 0.495414 0.688709 O\n0.544380 0.162150 0.021998 O\n0.014602 0.281086 0.194969 O\n0.345668 0.944991 0.532328 O\n0.680765 0.612535 0.865133 O\n0.491684 0.214987 0.308974 O\n0.828864 0.878080 0.644743 O\n0.161917 0.544561 0.977833 O\n0.540108 0.263042 0.541353 O\n0.874271 0.930414 0.875215 O\n0.208196 0.596458 0.208079 O\n0.273346 0.922137 0.273201 O\n0.606645 0.589597 0.606306 O\n0.940242 0.254564 0.939716 O\n0.262911 0.541510 0.458759 O\n0.597041 0.207717 0.791529 O\n0.930430 0.873578 0.124964 O\n0.589169 0.606852 0.393606 O\n0.921479 0.273619 0.726945 O\n0.255307 0.939759 0.060346 O\n",
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"formula_full": "Sr4 Ca2 Cu12 B12 O36",
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"spacegroup": 5
},
{
"id": "mp-1186597",
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"structure_string": "Pm1 In1 O3\n1.0\n4.146080 0.000000 0.000000\n0.000000 4.146080 0.000000\n0.000000 0.000000 4.146080\nPm In O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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},
{
"id": "mp-1210711",
"created_at": "2022-09-04T14:42:18.899841Z",
"structure_string": "Mg4 Mn4 Zn4 Si4 O24\n1.0\n2.990306 -4.198613 0.000000\n2.990306 4.198613 0.000000\n0.000000 0.000000 17.999360\nMg Mn Zn Si O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.482687 0.517313 0.584088 Mn\n0.517313 0.482687 0.415912 Mn\n0.017313 0.982687 0.084088 Mn\n0.982687 0.017313 0.915912 Mn\n0.349757 0.150243 0.750000 Zn\n0.650243 0.849757 0.250000 Zn\n0.150243 0.349757 0.250000 Zn\n0.849757 0.650243 0.750000 Zn\n0.356530 0.643470 0.847191 Si\n0.643470 0.356530 0.152809 Si\n0.143470 0.856530 0.347191 Si\n0.856530 0.143470 0.652809 Si\n0.271493 0.728507 0.574759 O\n0.728507 0.271493 0.425241 O\n0.228507 0.771493 0.074759 O\n0.771493 0.228507 0.925241 O\n0.706121 0.706121 0.500000 O\n0.293879 0.293879 0.500000 O\n0.793879 0.793879 0.000000 O\n0.206121 0.206121 0.000000 O\n0.238547 0.761453 0.920136 O\n0.761453 0.238547 0.079864 O\n0.261453 0.738547 0.420136 O\n0.738547 0.261453 0.579864 O\n0.241033 0.758967 0.773417 O\n0.758967 0.241033 0.226583 O\n0.258967 0.741033 0.273417 O\n0.741033 0.258967 0.726583 O\n0.742943 0.800162 0.655918 O\n0.257057 0.199838 0.344082 O\n0.757057 0.699838 0.155918 O\n0.699838 0.757057 0.844082 O\n0.242943 0.300162 0.844082 O\n0.300162 0.242943 0.155918 O\n0.800162 0.742943 0.344082 O\n0.199838 0.257057 0.655918 O\n",
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"formula_full": "Mg4 Mn4 Zn4 Si4 O24",
"formula_reduced": "MgMnZnSiO6",
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"spacegroup": 64
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{
"id": "mp-1018142",
"created_at": "2022-09-04T14:42:18.906047Z",
"structure_string": "Nb1 N1\n1.0\n0.000000 2.396214 2.396214\n2.396214 0.000000 2.396214\n2.396214 2.396214 0.000000\nNb N\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 N\n",
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"spacegroup": 216
},
{
"id": "mp-1103625",
"created_at": "2022-09-04T14:42:18.917264Z",
"structure_string": "Np4 Se10\n1.0\n3.862692 0.000000 3.870865\n3.862692 0.000000 -3.870865\n0.000000 10.728967 0.000000\nNp Se\n4 10\ndirect\n0.250000 0.250000 0.848503 Np\n0.750000 0.750000 0.651497 Np\n0.750000 0.750000 0.151497 Np\n0.250000 0.250000 0.348503 Np\n0.749992 0.006416 0.397475 Se\n0.993584 0.250008 0.102525 Se\n0.506416 0.249992 0.102525 Se\n0.750008 0.493584 0.397475 Se\n0.250008 0.993584 0.602525 Se\n0.006416 0.749992 0.897475 Se\n0.493584 0.750008 0.897475 Se\n0.249992 0.506416 0.602525 Se\n0.250000 0.750000 0.250000 Se\n0.750000 0.250000 0.750000 Se\n",
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"formula_full": "Np4 Se10",
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{
"id": "mp-26289",
"created_at": "2022-09-04T14:42:18.951158Z",
"structure_string": "Li9 Cr9 P12 O48\n1.0\n-7.966562 0.000000 0.000000\n-0.010653 8.821768 0.000000\n-0.053823 0.954072 -12.982115\nLi Cr P O\n9 9 12 48\ndirect\n0.862777 0.770883 0.833719 Li\n0.133391 0.239775 0.168360 Li\n0.867085 0.429540 0.168392 Li\n0.361065 0.726437 0.167495 Li\n0.361084 0.407876 0.499811 Li\n0.366421 0.071011 0.826656 Li\n0.632777 0.593656 0.508129 Li\n0.635255 0.261851 0.830470 Li\n0.135802 0.894132 0.497387 Li\n0.492883 0.341217 0.169953 Cr\n0.854294 0.104983 0.497046 Cr\n0.012114 0.827637 0.165287 Cr\n0.004724 0.505958 0.501944 Cr\n0.997197 0.160313 0.828680 Cr\n0.644130 0.939547 0.165112 Cr\n0.145109 0.561522 0.835247 Cr\n0.486537 0.996281 0.500030 Cr\n0.511234 0.671556 0.833671 Cr\n0.303571 0.688563 0.613041 P\n0.314585 0.350340 0.949158 P\n0.807820 0.475062 0.720497 P\n0.794359 0.807334 0.389048 P\n0.191275 0.191555 0.611643 P\n0.189432 0.520170 0.281945 P\n0.684506 0.316621 0.384853 P\n0.700811 0.643485 0.054921 P\n0.305088 0.024766 0.279428 P\n0.201796 0.857865 0.944627 P\n0.695269 0.978634 0.719775 P\n0.813899 0.148306 0.049280 P\n0.916224 0.922048 0.434902 O\n0.067368 0.411694 0.239232 O\n0.644530 0.140569 0.415704 O\n0.637157 0.479479 0.080422 O\n0.358530 0.192003 0.255413 O\n0.303475 0.331159 0.066994 O\n0.931644 0.255960 0.094356 O\n0.630425 0.151715 0.103520 O\n0.129593 0.003942 0.230762 O\n0.876463 0.992428 0.763628 O\n0.381002 0.842959 0.899594 O\n0.081856 0.745323 0.894004 O\n0.696461 0.680436 0.936608 O\n0.647751 0.808616 0.743419 O\n0.354839 0.525513 0.916646 O\n0.351101 0.858754 0.590097 O\n0.299793 0.664177 0.736787 O\n0.933638 0.582588 0.769593 O\n0.301750 0.988200 0.397893 O\n0.692576 0.337590 0.266952 O\n0.632200 0.496365 0.770089 O\n0.131933 0.347359 0.894920 O\n0.616217 0.824455 0.432896 O\n0.122573 0.674741 0.568863 O\n0.432354 0.242536 0.903476 O\n0.803838 0.166551 0.931630 O\n0.427061 0.578006 0.574996 O\n0.809881 0.511188 0.602598 O\n0.432260 0.916173 0.232222 O\n0.858643 0.306756 0.744937 O\n0.800410 0.841625 0.267324 O\n0.858407 0.644718 0.412548 O\n0.853881 0.973569 0.083458 O\n0.138246 0.021782 0.919306 O\n0.139568 0.359501 0.588102 O\n0.190020 0.155112 0.729804 O\n0.144873 0.691961 0.254212 O\n0.571657 0.089242 0.757830 O\n0.193812 0.498169 0.401742 O\n0.568552 0.422734 0.433038 O\n0.197653 0.821307 0.063129 O\n0.581365 0.755576 0.107194 O\n0.699588 0.002244 0.596005 O\n0.367305 0.170700 0.562861 O\n0.879743 0.657815 0.099731 O\n0.371457 0.506431 0.234490 O\n0.065716 0.083284 0.562824 O\n0.868321 0.318068 0.437645 O\n",
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{
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"structure_string": "K2 Cr4 Co1 H4 O16\n1.0\n6.886009 0.019292 1.044264\n3.473669 7.016879 0.062702\n-0.041834 -0.028109 7.986760\nK Cr Co H O\n2 4 1 4 16\ndirect\n0.292972 0.261549 0.827218 K\n0.707044 0.738447 0.172778 K\n0.261478 0.794990 0.835505 Cr\n0.738529 0.205011 0.164522 Cr\n0.270740 0.497922 0.332303 Cr\n0.729225 0.502092 0.667678 Cr\n0.000006 0.999998 0.500000 Co\n0.193552 0.081168 0.224897 H\n0.806462 0.918830 0.775091 H\n0.741874 0.847652 0.617035 H\n0.258134 0.152345 0.382954 H\n0.851383 0.280256 0.585341 O\n0.721698 0.654573 0.524680 O\n0.454481 0.556541 0.756799 O\n0.043865 0.783956 0.926848 O\n0.205670 0.939499 0.677913 O\n0.755510 0.957947 0.666241 O\n0.244493 0.042052 0.333750 O\n0.278281 0.345416 0.475334 O\n0.794357 0.060495 0.322079 O\n0.148612 0.719725 0.414668 O\n0.151928 0.468920 0.182211 O\n0.545494 0.443455 0.243213 O\n0.956146 0.216067 0.073147 O\n0.632422 0.128116 0.032263 O\n0.367601 0.871896 0.967736 O\n0.848040 0.531081 0.817796 O\n",
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{
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