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{
"id": "mp-1031257",
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"structure_string": "K1 Mg6 B1 O7\n1.0\n7.855167 -0.000000 0.000000\n-0.000000 4.786140 0.000000\n0.000000 0.000000 4.786140\nK Mg B O\n1 6 1 7\ndirect\n0.001295 -0.000000 0.000000 K\n0.004138 0.500000 0.500000 Mg\n0.496220 0.500000 0.500000 Mg\n0.255555 0.000000 0.500000 Mg\n0.743467 -0.000000 0.500000 Mg\n0.255555 0.500000 -0.000000 Mg\n0.743467 0.500000 0.000000 Mg\n0.500645 -0.000000 0.000000 B\n0.330609 -0.000000 -0.000000 O\n0.671491 -0.000000 -0.000000 O\n0.750247 0.500000 0.500000 O\n0.999226 0.000000 0.500000 O\n0.499430 0.000000 0.500000 O\n0.999226 0.500000 0.000000 O\n0.499430 0.500000 -0.000000 O\n",
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{
"id": "mp-1033946",
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"formula_full": "K1 Na1 Mg14 O15",
"formula_reduced": "KNaMg14O15",
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"spacegroup": 25
},
{
"id": "mp-1035669",
"created_at": "2022-09-04T14:44:58.203315Z",
"structure_string": "K1 Mg14 Sb1 O16\n1.0\n8.736816 -0.000000 -0.000000\n0.000000 8.736816 0.000000\n0.000000 0.000000 4.458067\nK Mg Sb O\n1 14 1 16\ndirect\n-0.000000 0.000000 0.000000 K\n-0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.248960 0.500000 Mg\n-0.000000 0.751040 0.500000 Mg\n0.500000 0.235990 0.500000 Mg\n0.500000 0.764010 0.500000 Mg\n0.248960 0.000000 0.500000 Mg\n0.235990 0.500000 0.500000 Mg\n0.751040 0.000000 0.500000 Mg\n0.764010 0.500000 0.500000 Mg\n0.242569 0.242569 0.000000 Mg\n0.242569 0.757431 0.000000 Mg\n0.757431 0.242569 -0.000000 Mg\n0.757431 0.757431 -0.000000 Mg\n0.500000 0.500000 0.000000 Sb\n0.274507 0.000000 0.000000 O\n0.241773 0.500000 -0.000000 O\n0.725493 0.000000 -0.000000 O\n0.758227 0.500000 0.000000 O\n0.252344 0.252344 0.500000 O\n0.252344 0.747656 0.500000 O\n0.747656 0.252344 0.500000 O\n0.747656 0.747656 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.274507 -0.000000 O\n-0.000000 0.725493 -0.000000 O\n0.500000 0.241773 -0.000000 O\n0.500000 0.758227 0.000000 O\n",
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"elements": [
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},
{
"id": "mp-1033073",
"created_at": "2022-09-04T14:45:00.385547Z",
"structure_string": "Mg6 Al1 Bi1 O8\n1.0\n9.486183 0.000000 0.000000\n-0.000000 4.409553 0.000000\n0.000000 0.000000 4.409553\nMg Al Bi O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.236514 -0.000000 0.500000 Mg\n0.763486 0.000000 0.500000 Mg\n0.236514 0.500000 -0.000000 Mg\n0.763486 0.500000 0.000000 Mg\n0.000000 0.000000 -0.000000 Al\n0.500000 0.000000 -0.000000 Bi\n0.186502 0.000000 0.000000 O\n0.813498 0.000000 -0.000000 O\n0.248595 0.500000 0.500000 O\n0.751405 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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"volume": 184.4508378417999,
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"formula_full": "Mg6 Al1 Bi1 O8",
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"energy": -96.23209745,
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"updated_at": "2021-11-28T01:36:51.562000Z",
"spacegroup": 123
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{
"id": "mp-29025",
"created_at": "2022-09-04T14:44:58.112560Z",
"structure_string": "Li5 Br2 N1\n1.0\n-1.958239 3.044730 5.921875\n1.958239 -3.044730 5.921875\n1.958239 3.044730 -5.921875\nLi Br N\n5 2 1\ndirect\n0.903113 0.120194 0.782919 Li\n0.096887 0.879806 0.217081 Li\n0.662725 0.879806 0.782919 Li\n0.000000 0.500000 0.500000 Li\n0.337275 0.120194 0.217081 Li\n0.326342 0.326342 0.000000 Br\n0.673658 0.673658 0.000000 Br\n0.000000 0.000000 0.000000 N\n",
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"density": 2.451672634665652,
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"volume": 141.23219515925814,
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"formula_full": "Li5 Br2 N1",
"formula_reduced": "Li5Br2N",
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"spacegroup": 71
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{
"id": "mp-841",
"created_at": "2022-09-04T14:44:57.165776Z",
"structure_string": "Li4 O4\n1.0\n1.590181 -2.754274 0.000000\n1.590181 2.754274 0.000000\n0.000000 0.000000 7.703522\nLi O\n4 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.333333 0.666667 0.649310 O\n0.666667 0.333333 0.149310 O\n0.666667 0.333333 0.350690 O\n0.333333 0.666667 0.850690 O\n",
"nsites": 8,
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"elements": [
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"volume": 67.47968169757684,
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{
"id": "mp-28680",
"created_at": "2022-09-04T14:45:08.322779Z",
"structure_string": "K6 Ga6 Br24\n1.0\n7.298633 -11.500469 0.000000\n7.298633 11.500469 0.000000\n-10.822677 0.000000 8.270458\nK Ga Br\n6 6 24\ndirect\n0.882833 0.693371 0.097651 K\n0.097651 0.882833 0.693371 K\n0.693371 0.097651 0.882833 K\n0.193371 0.382833 0.597651 K\n0.597651 0.193371 0.382833 K\n0.382833 0.597651 0.193371 K\n0.872042 0.083896 0.687328 Ga\n0.687328 0.872042 0.083896 Ga\n0.083896 0.687328 0.872042 Ga\n0.583896 0.372042 0.187328 Ga\n0.187328 0.583896 0.372042 Ga\n0.372042 0.187328 0.583896 Ga\n0.963981 0.122006 0.904462 Br\n0.904462 0.963981 0.122006 Br\n0.122006 0.904462 0.963981 Br\n0.622006 0.463981 0.404462 Br\n0.404462 0.622006 0.463981 Br\n0.463981 0.404462 0.622006 Br\n0.076675 0.324498 0.784713 Br\n0.784713 0.076675 0.324498 Br\n0.324498 0.784713 0.076675 Br\n0.824498 0.576675 0.284713 Br\n0.284713 0.824498 0.576675 Br\n0.576675 0.284713 0.824498 Br\n0.638396 0.022151 0.563611 Br\n0.563611 0.638396 0.022151 Br\n0.022151 0.563611 0.638396 Br\n0.522151 0.138396 0.063611 Br\n0.063611 0.522151 0.138396 Br\n0.138396 0.063611 0.522151 Br\n0.803368 0.864429 0.492388 Br\n0.492388 0.803368 0.864429 Br\n0.864429 0.492388 0.803368 Br\n0.364429 0.303368 0.992388 Br\n0.992388 0.364429 0.303368 Br\n0.303368 0.992388 0.364429 Br\n",
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{
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"structure_string": "Zn2 Fe4 O8\n1.0\n5.228382 -0.001322 3.019734\n1.742498 4.928519 3.018087\n-1.741520 -4.929845 3.019687\nZn Fe O\n2 4 8\ndirect\n0.875000 0.750000 0.875000 Zn\n0.125000 0.250000 0.125000 Zn\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.739411 0.021139 0.739411 O\n0.739411 0.478861 0.739411 O\n0.260546 0.978864 0.718273 O\n0.260589 0.978861 0.260589 O\n0.260589 0.521139 0.260589 O\n0.739454 0.021136 0.281727 O\n0.281727 0.478864 0.739454 O\n0.718273 0.521136 0.260546 O\n",
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"formula_full": "Zn2 Fe4 O8",
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{
"id": "mp-1029421",
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"structure_string": "Te2 Mo1 W3 Se6\n1.0\n1.688963 -2.925370 0.000000\n1.688963 2.925370 0.000000\n0.000000 0.000000 38.521538\nTe Mo W Se\n2 1 3 6\ndirect\n0.333333 0.666667 0.045051 Te\n0.333333 0.666667 0.142788 Te\n0.000000 0.000000 0.093913 Mo\n0.000000 0.000000 0.469667 W\n0.333333 0.666667 0.281814 W\n0.333333 0.666667 0.657533 W\n0.000000 0.000000 0.325013 Se\n0.000000 0.000000 0.700737 Se\n0.333333 0.666667 0.426464 Se\n0.333333 0.666667 0.512864 Se\n0.000000 0.000000 0.238587 Se\n0.000000 0.000000 0.614315 Se\n",
"nsites": 12,
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{
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}