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{
"id": "mp-1222016",
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"structure_string": "Mg4 Si4 Ni4 O16\n1.0\n4.795608 0.000000 0.000000\n0.000000 6.017907 0.000000\n0.000000 0.000000 10.230551\nMg Si Ni O\n4 4 4 16\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.927967 0.750000 0.594358 Si\n0.572033 0.750000 0.094358 Si\n0.072033 0.250000 0.405642 Si\n0.427967 0.250000 0.905642 Si\n0.492432 0.750000 0.774341 Ni\n0.007568 0.750000 0.274341 Ni\n0.507568 0.250000 0.225659 Ni\n0.992432 0.250000 0.725659 Ni\n0.719787 0.750000 0.945993 O\n0.780213 0.750000 0.445993 O\n0.280213 0.250000 0.054007 O\n0.219787 0.250000 0.554007 O\n0.267603 0.750000 0.592231 O\n0.232397 0.750000 0.092231 O\n0.732397 0.250000 0.407769 O\n0.767603 0.250000 0.907769 O\n0.774821 0.968824 0.662492 O\n0.725179 0.531176 0.162492 O\n0.225179 0.468824 0.337508 O\n0.274821 0.031176 0.837508 O\n0.225179 0.031176 0.337508 O\n0.274821 0.468824 0.837508 O\n0.774821 0.531176 0.662492 O\n0.725179 0.968824 0.162492 O\n",
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{
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"structure_string": "Mg14 Co1 Cu1 O16\n1.0\n8.503901 0.000000 0.000000\n0.000000 8.527190 0.000000\n0.000000 0.000000 4.255786\nMg Co Cu O\n14 1 1 16\ndirect\n0.500000 -0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.251407 0.500000 Mg\n-0.000000 0.748593 0.500000 Mg\n0.500000 0.249961 0.500000 Mg\n0.500000 0.750039 0.500000 Mg\n0.248086 -0.000000 0.500000 Mg\n0.248422 0.500000 0.500000 Mg\n0.751914 -0.000000 0.500000 Mg\n0.751578 0.500000 0.500000 Mg\n0.248979 0.249632 0.000000 Mg\n0.248979 0.750368 -0.000000 Mg\n0.751021 0.249632 0.000000 Mg\n0.751021 0.750368 -0.000000 Mg\n-0.000000 0.500000 0.000000 Co\n-0.000000 -0.000000 0.000000 Cu\n0.251432 -0.000000 -0.000000 O\n0.252495 0.500000 0.000000 O\n0.748568 -0.000000 0.000000 O\n0.747505 0.500000 0.000000 O\n0.249120 0.249539 0.500000 O\n0.249120 0.750461 0.500000 O\n0.750880 0.249539 0.500000 O\n0.750880 0.750461 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 0.259533 -0.000000 O\n-0.000000 0.740467 0.000000 O\n0.500000 0.249540 0.000000 O\n0.500000 0.750460 0.000000 O\n",
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{
"id": "mp-560378",
"created_at": "2022-09-04T14:45:13.847269Z",
"structure_string": "Ca12 Ta16 O48 F8\n1.0\n10.538277 0.000000 0.000000\n0.000000 10.538277 0.000000\n0.000000 0.000000 10.538277\nCa Ta O F\n12 16 48 8\ndirect\n0.387029 0.375000 0.637029 Ca\n0.637029 0.387029 0.375000 Ca\n0.612971 0.875000 0.862971 Ca\n0.375000 0.637029 0.387029 Ca\n0.875000 0.862971 0.612971 Ca\n0.125000 0.362971 0.887029 Ca\n0.862971 0.612971 0.875000 Ca\n0.887029 0.125000 0.362971 Ca\n0.625000 0.137029 0.112971 Ca\n0.137029 0.112971 0.625000 Ca\n0.112971 0.625000 0.137029 Ca\n0.362971 0.887029 0.125000 Ca\n0.876306 0.373694 0.625000 Ta\n0.373694 0.625000 0.876306 Ta\n0.125000 0.125000 0.125000 Ta\n0.123694 0.873694 0.875000 Ta\n0.873694 0.875000 0.123694 Ta\n0.875000 0.123694 0.873694 Ta\n0.125000 0.623694 0.626306 Ta\n0.375000 0.875000 0.625000 Ta\n0.126306 0.375000 0.376306 Ta\n0.376306 0.126306 0.375000 Ta\n0.623694 0.626306 0.125000 Ta\n0.626306 0.125000 0.623694 Ta\n0.375000 0.376306 0.126306 Ta\n0.625000 0.375000 0.875000 Ta\n0.625000 0.876306 0.373694 Ta\n0.875000 0.625000 0.375000 Ta\n0.242127 0.259671 0.062614 O\n0.757872 0.759671 0.437386 O\n0.303851 0.501610 0.004299 O\n0.990329 0.007873 0.187386 O\n0.742128 0.240329 0.937386 O\n0.495701 0.696149 0.001610 O\n0.498390 0.504299 0.196149 O\n0.812614 0.490329 0.492127 O\n0.509671 0.992128 0.687386 O\n0.490329 0.492127 0.812614 O\n0.257873 0.740329 0.562614 O\n0.312614 0.009671 0.507872 O\n0.696149 0.001610 0.495701 O\n0.992128 0.687386 0.509671 O\n0.001610 0.495701 0.696149 O\n0.240329 0.937386 0.742128 O\n0.803851 0.998390 0.995701 O\n0.504299 0.196149 0.498390 O\n0.248390 0.553851 0.754299 O\n0.004299 0.303851 0.501610 O\n0.196149 0.498390 0.504299 O\n0.501610 0.004299 0.303851 O\n0.245701 0.748390 0.946149 O\n0.937386 0.742128 0.240329 O\n0.437386 0.757872 0.759671 O\n0.053851 0.745701 0.751610 O\n0.751610 0.053851 0.745701 O\n0.492127 0.812614 0.490329 O\n0.759671 0.437386 0.757872 O\n0.740329 0.562614 0.257873 O\n0.995701 0.803851 0.998390 O\n0.553851 0.754299 0.248390 O\n0.687386 0.509671 0.992128 O\n0.254299 0.251610 0.446149 O\n0.187386 0.990329 0.007873 O\n0.754299 0.248390 0.553851 O\n0.009671 0.507872 0.312614 O\n0.562614 0.257873 0.740329 O\n0.507872 0.312614 0.009671 O\n0.259671 0.062614 0.242127 O\n0.251610 0.446149 0.254299 O\n0.446149 0.254299 0.251610 O\n0.745701 0.751610 0.053851 O\n0.748390 0.946149 0.245701 O\n0.946149 0.245701 0.748390 O\n0.062614 0.242127 0.259671 O\n0.007873 0.187386 0.990329 O\n0.998390 0.995701 0.803851 O\n0.988104 0.011896 0.511896 F\n0.011896 0.511896 0.988104 F\n0.238104 0.261896 0.738104 F\n0.511896 0.988104 0.011896 F\n0.738104 0.238104 0.261896 F\n0.488104 0.488104 0.488104 F\n0.261896 0.738104 0.238104 F\n0.761896 0.761896 0.761896 F\n",
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"elements": [
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"volume": 1170.3313253856961,
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"formula_full": "Ca12 Ta16 O48 F8",
"formula_reduced": "Ca3Ta4(O6F)2",
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{
"id": "mp-26778",
"created_at": "2022-09-04T14:45:13.855949Z",
"structure_string": "Cr4 P8 O28\n1.0\n8.823519 0.000000 -2.221169\n0.000000 8.325288 0.000000\n-0.002127 0.000000 6.793537\nCr P O\n4 8 28\ndirect\n0.750004 0.063890 0.250409 Cr\n0.249996 0.936110 0.749591 Cr\n0.249996 0.563890 0.749591 Cr\n0.750004 0.436110 0.250409 Cr\n0.525677 0.750000 0.084885 P\n0.944535 0.250000 0.999722 P\n0.973307 0.750000 0.415216 P\n0.474323 0.250000 0.915115 P\n0.443277 0.750000 0.497765 P\n0.556723 0.250000 0.502235 P\n0.055465 0.750000 0.000278 P\n0.026693 0.250000 0.584784 P\n0.894112 0.750000 0.870694 O\n0.059964 0.750000 0.236361 O\n0.611365 0.250000 0.108533 O\n0.359584 0.905072 0.532179 O\n0.860210 0.095000 0.033126 O\n0.359584 0.594928 0.532179 O\n0.640416 0.094928 0.467821 O\n0.882352 0.902466 0.409418 O\n0.605508 0.750000 0.624846 O\n0.139790 0.595000 0.966874 O\n0.394492 0.250000 0.375154 O\n0.888483 0.250000 0.392847 O\n0.563669 0.250000 0.739056 O\n0.111517 0.750000 0.607153 O\n0.383070 0.402421 0.907632 O\n0.388635 0.750000 0.891467 O\n0.940036 0.250000 0.763639 O\n0.105888 0.250000 0.129306 O\n0.436331 0.750000 0.260944 O\n0.616930 0.597579 0.092368 O\n0.383070 0.097579 0.907632 O\n0.616930 0.902421 0.092368 O\n0.640416 0.405072 0.467821 O\n0.117648 0.097534 0.590582 O\n0.860210 0.405000 0.033126 O\n0.139790 0.905000 0.966874 O\n0.117648 0.402466 0.590582 O\n0.882352 0.597534 0.409418 O\n",
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{
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{
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{
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{
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"structure_string": "Cs12 K6 Ga2 Sb8\n1.0\n5.584130 -9.671996 0.000000\n5.584130 9.671996 0.000000\n0.000000 0.000000 11.703994\nCs K Ga Sb\n12 6 2 8\ndirect\n0.209410 0.418819 0.541644 Cs\n0.790590 0.209410 0.041644 Cs\n0.418819 0.209410 0.041644 Cs\n0.581181 0.790590 0.541644 Cs\n0.209410 0.790590 0.541644 Cs\n0.790590 0.581181 0.458356 Cs\n0.790590 0.209410 0.458356 Cs\n0.790590 0.581181 0.041644 Cs\n0.418819 0.209410 0.458356 Cs\n0.581181 0.790590 0.958356 Cs\n0.209410 0.418819 0.958356 Cs\n0.209410 0.790590 0.958356 Cs\n0.119030 0.238059 0.250000 K\n0.880970 0.119030 0.750000 K\n0.238059 0.119030 0.750000 K\n0.761941 0.880970 0.250000 K\n0.119030 0.880970 0.250000 K\n0.880970 0.761941 0.750000 K\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n0.472624 0.527376 0.250000 Sb\n0.945247 0.472624 0.750000 Sb\n0.527376 0.054753 0.750000 Sb\n0.472624 0.945247 0.250000 Sb\n0.054753 0.527376 0.250000 Sb\n0.527376 0.472624 0.750000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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{
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