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{
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{
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"structure_string": "Zr1 Nb1 B4\n1.0\n1.574227 -2.726641 0.000000\n1.574227 2.726641 0.000000\n0.000000 0.000000 6.873795\nZr Nb B\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Nb\n0.666667 0.333333 0.757768 B\n0.666667 0.333333 0.242232 B\n0.333333 0.666667 0.757768 B\n0.333333 0.666667 0.242232 B\n",
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{
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"structure_string": "Ca1 Mg30 Fe1 O32\n1.0\n8.577096 0.000000 0.000000\n0.000000 8.577096 0.000000\n0.000000 0.000000 8.555649\nCa Mg Fe O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.254340 0.000000 0.252887 Mg\n0.254340 0.000000 0.747113 Mg\n0.745660 0.000000 0.252887 Mg\n0.745660 0.000000 0.747113 Mg\n0.250202 0.500000 0.250390 Mg\n0.250202 0.500000 0.749610 Mg\n0.749798 0.500000 0.250390 Mg\n0.749798 0.500000 0.749610 Mg\n0.000000 0.254340 0.252887 Mg\n0.000000 0.254340 0.747113 Mg\n0.500000 0.250202 0.250390 Mg\n0.500000 0.250202 0.749610 Mg\n0.000000 0.745660 0.252887 Mg\n0.000000 0.745660 0.747113 Mg\n0.500000 0.749798 0.250390 Mg\n0.500000 0.749798 0.749610 Mg\n0.252951 0.252951 0.000000 Mg\n0.249871 0.249871 0.500000 Mg\n0.747049 0.252951 0.000000 Mg\n0.750129 0.249871 0.500000 Mg\n0.252951 0.747049 0.000000 Mg\n0.249871 0.750129 0.500000 Mg\n0.747049 0.747049 0.000000 Mg\n0.750129 0.750129 0.500000 Mg\n0.000000 0.000000 0.500000 Fe\n0.000000 0.262018 0.000000 O\n0.000000 0.258123 0.500000 O\n0.500000 0.252042 0.000000 O\n0.500000 0.251077 0.500000 O\n0.000000 0.737982 0.000000 O\n0.000000 0.741877 0.500000 O\n0.500000 0.747958 0.000000 O\n0.500000 0.748923 0.500000 O\n0.249321 0.249321 0.249702 O\n0.249321 0.249321 0.750298 O\n0.750679 0.249321 0.249702 O\n0.750679 0.249321 0.750298 O\n0.249321 0.750679 0.249702 O\n0.249321 0.750679 0.750298 O\n0.750679 0.750679 0.249702 O\n0.750679 0.750679 0.750298 O\n0.000000 0.000000 0.261275 O\n0.000000 0.000000 0.738725 O\n0.500000 0.000000 0.251129 O\n0.500000 0.000000 0.748871 O\n0.000000 0.500000 0.251129 O\n0.000000 0.500000 0.748871 O\n0.500000 0.500000 0.250096 O\n0.500000 0.500000 0.749904 O\n0.262018 0.000000 0.000000 O\n0.258123 0.000000 0.500000 O\n0.737982 0.000000 0.000000 O\n0.741877 0.000000 0.500000 O\n0.252042 0.500000 0.000000 O\n0.251077 0.500000 0.500000 O\n0.747958 0.500000 0.000000 O\n0.748923 0.500000 0.500000 O\n",
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"formula_full": "Ca1 Mg30 Fe1 O32",
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"spacegroup": 123
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{
"id": "mp-632417",
"created_at": "2022-09-04T14:41:10.359936Z",
"structure_string": "Li2 H2 O4\n1.0\n3.804822 3.446361 0.000000\n-3.804822 3.446361 0.000000\n0.000000 1.682174 2.999972\nLi H O\n2 2 4\ndirect\n0.314444 0.685556 0.500000 Li\n0.685556 0.314444 0.500000 Li\n0.216380 0.216380 0.191672 H\n0.783620 0.783620 0.808328 H\n0.284132 0.284132 0.867198 O\n0.715868 0.715868 0.132802 O\n0.188369 0.811631 0.000000 O\n0.811631 0.188369 0.000000 O\n",
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{
"id": "mp-1032273",
"created_at": "2022-09-04T14:42:56.910682Z",
"structure_string": "Mg6 Cu1 Si1 O8\n1.0\n4.254128 0.000000 0.000000\n0.000000 4.254128 0.000000\n0.000000 0.000000 8.694597\nMg Cu Si O\n6 1 1 8\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.250288 Mg\n0.000000 0.500000 0.749712 Mg\n0.500000 0.000000 0.250288 Mg\n0.500000 0.000000 0.749712 Mg\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.265253 O\n0.000000 0.000000 0.734747 O\n0.500000 0.500000 0.242229 O\n0.500000 0.500000 0.757771 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"structure_string": "Li6 Mg1 Ni12 O26\n1.0\n7.486317 0.000000 0.000000\n0.453347 7.669280 0.000000\n2.054717 1.562059 7.707677\nLi Mg Ni O\n6 1 12 26\ndirect\n0.976146 0.992476 0.494115 Li\n0.395976 0.933440 0.437259 Li\n0.531116 0.685681 0.177487 Li\n0.435625 0.315708 0.812021 Li\n0.945772 0.612118 0.109649 Li\n0.854303 0.249739 0.746630 Li\n0.004682 0.001195 0.001680 Mg\n0.076663 0.384800 0.381710 Ni\n0.234107 0.152246 0.155341 Ni\n0.152943 0.772714 0.768256 Ni\n0.303194 0.544053 0.537740 Ni\n0.461851 0.307071 0.309385 Ni\n0.617744 0.069075 0.080316 Ni\n0.387167 0.921502 0.921370 Ni\n0.537051 0.693791 0.689981 Ni\n0.691792 0.461154 0.461624 Ni\n0.846724 0.231554 0.232165 Ni\n0.770975 0.843803 0.843215 Ni\n0.921517 0.613090 0.614901 Ni\n0.003022 0.037197 0.239752 O\n0.056833 0.369209 0.161860 O\n0.079313 0.412045 0.606662 O\n0.152562 0.751089 0.541677 O\n0.239872 0.179700 0.381225 O\n0.307419 0.511251 0.310889 O\n0.172241 0.786291 0.987944 O\n0.405732 0.927843 0.148889 O\n0.249233 0.129002 0.927930 O\n0.463548 0.272287 0.084862 O\n0.303421 0.565643 0.761235 O\n0.367268 0.908571 0.698088 O\n0.457956 0.341634 0.535996 O\n0.514096 0.681866 0.466754 O\n0.617002 0.101566 0.305625 O\n0.682467 0.437159 0.237437 O\n0.545202 0.718834 0.912763 O\n0.763122 0.858684 0.071966 O\n0.614925 0.051705 0.852594 O\n0.828206 0.210289 0.010330 O\n0.697953 0.468792 0.685420 O\n0.772730 0.816381 0.618734 O\n0.868348 0.245162 0.456332 O\n0.922033 0.580580 0.374235 O\n0.929037 0.648708 0.854862 O\n0.990257 0.971306 0.758244 O\n",
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{
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{
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{
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{
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{
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]
}