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{
"id": "mp-17473",
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},
{
"id": "mp-1105189",
"created_at": "2022-09-04T14:40:18.449636Z",
"structure_string": "Cu4 Ag2 P2 S8\n1.0\n6.205047 0.000000 0.000000\n0.000000 6.321748 0.000000\n0.000000 0.000000 7.661543\nCu Ag P S\n4 2 2 8\ndirect\n0.009741 0.185237 0.752575 Cu\n0.009741 0.185237 0.247425 Cu\n0.509741 0.814763 0.747425 Cu\n0.509741 0.814763 0.252575 Cu\n0.004619 0.647203 0.500000 Ag\n0.504619 0.352797 0.000000 Ag\n0.500597 0.312544 0.500000 P\n0.000597 0.687456 0.000000 P\n0.378082 0.160040 0.721261 S\n0.378082 0.160040 0.278739 S\n0.878082 0.839960 0.778739 S\n0.878082 0.839960 0.221261 S\n0.836542 0.280289 0.500000 S\n0.336542 0.719711 0.000000 S\n0.411166 0.631834 0.500000 S\n0.911166 0.368166 0.000000 S\n",
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"formula_full": "Cu4 Ag2 P2 S8",
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{
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"structure_string": "Sr8 Co4 Sb4 O24\n1.0\n7.953126 -0.000484 -0.011277\n3.982707 -8.086253 -3.979528\n0.011302 0.000380 -7.948524\nSr Co Sb O\n8 4 4 24\ndirect\n0.627805 0.249869 0.624772 Sr\n0.375283 0.749870 0.877786 Sr\n0.122292 0.249919 0.125403 Sr\n0.874882 0.749881 0.372276 Sr\n0.374940 0.750111 0.372565 Sr\n0.122579 0.250071 0.624907 Sr\n0.874949 0.750152 0.877236 Sr\n0.627271 0.250140 0.125059 Sr\n0.750687 0.498652 0.750670 Co\n0.500786 0.998450 0.000808 Co\n0.999227 0.001586 0.499182 Co\n0.249303 0.501362 0.249373 Co\n0.749963 0.500057 0.249966 Sb\n0.500010 0.999990 0.500022 Sb\n0.250026 0.499959 0.750042 Sb\n0.999989 0.000032 0.999967 Sb\n0.753245 0.998731 0.499805 O\n0.503162 0.501255 0.749219 O\n0.249060 0.000273 0.000577 O\n0.999911 0.499644 0.249638 O\n0.248060 0.998630 0.501502 O\n0.995554 0.501326 0.749481 O\n0.750663 0.000300 0.999153 O\n0.500352 0.499810 0.250659 O\n0.873930 0.251971 0.374036 O\n0.622242 0.755598 0.622154 O\n0.372079 0.255818 0.872181 O\n0.123948 0.752208 0.123716 O\n0.127946 0.744218 0.627835 O\n0.876073 0.247751 0.876158 O\n0.626036 0.747981 0.125911 O\n0.377715 0.244433 0.377940 O\n0.001079 0.999657 0.749988 O\n0.750075 0.500186 0.000719 O\n0.498594 0.001493 0.245524 O\n0.251176 0.498635 0.497593 O\n0.999312 0.999580 0.250359 O\n0.749743 0.500194 0.499081 O\n0.499993 0.001329 0.753090 O\n0.250060 0.498874 0.003648 O\n",
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"formula_full": "Sr8 Co4 Sb4 O24",
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"spacegroup": 225
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{
"id": "mp-1177897",
"created_at": "2022-09-04T14:40:18.453831Z",
"structure_string": "Li6 Mn3 Fe3 B6 O18\n1.0\n4.110848 -7.120197 0.000000\n4.110848 7.120197 0.000000\n0.000000 0.000000 6.339369\nLi Mn Fe B O\n6 3 3 6 18\ndirect\n0.282209 0.981813 0.252920 Li\n0.282209 0.981813 0.747080 Li\n0.018187 0.300396 0.252920 Li\n0.018187 0.300396 0.747080 Li\n0.699604 0.717791 0.747080 Li\n0.699604 0.717791 0.252920 Li\n0.370778 0.358115 0.000000 Mn\n0.641885 0.012664 0.000000 Mn\n0.987336 0.629222 0.000000 Mn\n0.371967 0.362123 0.500000 Fe\n0.637877 0.009844 0.500000 Fe\n0.990156 0.628033 0.500000 Fe\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.333333 0.666667 0.255955 B\n0.333333 0.666667 0.744045 B\n0.666667 0.333333 0.253601 B\n0.666667 0.333333 0.746399 B\n0.109222 0.913319 0.500000 O\n0.118498 0.924084 0.000000 O\n0.138641 0.579777 0.254210 O\n0.138641 0.579777 0.745790 O\n0.075916 0.194414 0.000000 O\n0.086681 0.195903 0.500000 O\n0.441137 0.861359 0.254210 O\n0.441137 0.861359 0.745790 O\n0.420223 0.558863 0.254210 O\n0.420223 0.558863 0.745790 O\n0.471856 0.250530 0.252566 O\n0.471856 0.250530 0.747434 O\n0.805586 0.881502 0.000000 O\n0.804097 0.890778 0.500000 O\n0.778674 0.528144 0.252566 O\n0.778674 0.528144 0.747434 O\n0.749470 0.221326 0.747434 O\n0.749470 0.221326 0.252566 O\n",
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"formula_full": "Li6 Mn3 Fe3 B6 O18",
"formula_reduced": "Li2MnFe(BO3)2",
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"energy": -280.83485442,
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{
"id": "mp-1035836",
"created_at": "2022-09-04T14:40:18.457541Z",
"structure_string": "K1 Mg14 B1 O15\n1.0\n4.503692 0.000000 0.000000\n0.000000 8.309084 0.000000\n0.000000 0.000000 8.697616\nK Mg B O\n1 14 1 15\ndirect\n0.000000 0.000000 0.984998 K\n0.000000 0.000000 0.503333 Mg\n0.000000 0.500000 0.494665 Mg\n0.500000 0.738251 0.001278 Mg\n0.500000 0.261749 0.001278 Mg\n0.500000 0.749641 0.497231 Mg\n0.500000 0.250359 0.497231 Mg\n0.500000 0.000000 0.745657 Mg\n0.500000 0.500000 0.758267 Mg\n0.500000 0.000000 0.248839 Mg\n0.500000 0.500000 0.245817 Mg\n0.000000 0.733720 0.738676 Mg\n0.000000 0.266280 0.738676 Mg\n0.000000 0.756684 0.255087 Mg\n0.000000 0.243316 0.255087 Mg\n0.000000 0.500000 0.060994 B\n0.000000 0.500000 0.721238 O\n0.000000 0.000000 0.268019 O\n0.000000 0.500000 0.232815 O\n0.500000 0.746614 0.753115 O\n0.500000 0.253386 0.753115 O\n0.500000 0.750225 0.247530 O\n0.500000 0.249775 0.247530 O\n0.500000 0.000000 0.003563 O\n0.500000 0.500000 0.010185 O\n0.500000 0.000000 0.498803 O\n0.500000 0.500000 0.485628 O\n0.000000 0.667214 0.009087 O\n0.000000 0.332786 0.009087 O\n0.000000 0.745453 0.491584 O\n0.000000 0.254547 0.491584 O\n",
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{
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"structure_string": "K2 Tl1 Cu1 Br6\n1.0\n0.000000 5.460393 5.460393\n5.460393 0.000000 5.460393\n5.460393 5.460393 0.000000\nK Tl Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cu\n0.737266 0.262734 0.262734 Br\n0.262734 0.262734 0.737266 Br\n0.262734 0.737266 0.737266 Br\n0.262734 0.737266 0.262734 Br\n0.737266 0.262734 0.737266 Br\n0.737266 0.737266 0.262734 Br\n",
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{
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"structure_string": "Tm4 In2 Au4\n1.0\n7.967016 0.000000 0.000000\n0.000000 7.967016 0.000000\n0.000000 0.000000 3.635107\nTm In Au\n4 2 4\ndirect\n0.169356 0.330644 0.000000 Tm\n0.830644 0.669356 0.000000 Tm\n0.669356 0.169356 0.000000 Tm\n0.330644 0.830644 0.000000 Tm\n0.000000 0.000000 0.500000 In\n0.500000 0.500000 0.500000 In\n0.370930 0.129070 0.500000 Au\n0.629070 0.870930 0.500000 Au\n0.870930 0.370930 0.500000 Au\n0.129070 0.629070 0.500000 Au\n",
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{
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"created_at": "2022-09-04T14:40:22.781683Z",
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