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{
"id": "mp-758533",
"created_at": "2022-09-04T14:41:01.123754Z",
"structure_string": "Li3 Sb1 P2 O8\n1.0\n2.857654 4.310814 0.000000\n-2.857654 4.310814 0.000000\n0.000000 0.178173 6.323870\nLi Sb P O\n3 1 2 8\ndirect\n0.662165 0.662165 0.704922 Li\n0.000000 0.000000 0.500000 Li\n0.337835 0.337835 0.295078 Li\n0.000000 0.000000 0.000000 Sb\n0.647536 0.647536 0.239628 P\n0.352464 0.352464 0.760372 P\n0.237110 0.237110 0.581242 O\n0.270692 0.270692 0.980857 O\n0.314983 0.752977 0.257559 O\n0.752977 0.314983 0.257559 O\n0.247023 0.685017 0.742441 O\n0.685017 0.247023 0.742441 O\n0.729308 0.729308 0.019143 O\n0.762890 0.762890 0.418758 O\n",
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{
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"structure_string": "Na2 H6 Pt1\n1.0\n0.000000 3.686008 3.686008\n3.686008 0.000000 3.686008\n3.686008 3.686008 0.000000\nNa H Pt\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.776184 0.776184 0.223816 H\n0.223816 0.776184 0.223816 H\n0.776184 0.223816 0.223816 H\n0.223816 0.223816 0.776184 H\n0.776184 0.223816 0.776184 H\n0.223816 0.776184 0.776184 H\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "mp-758840",
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"structure_string": "K4 B24 P4 H16 O56\n1.0\n12.273981 0.000000 0.000000\n0.000000 12.273981 0.000000\n0.000000 0.000000 7.682842\nK B P H O\n4 24 4 16 56\ndirect\n0.000000 0.500000 0.888217 K\n0.000000 0.500000 0.388217 K\n0.500000 0.000000 0.111783 K\n0.500000 0.000000 0.611783 K\n0.821322 0.303857 0.185071 B\n0.178678 0.303857 0.685071 B\n0.196143 0.321322 0.185071 B\n0.803857 0.321322 0.685071 B\n0.384016 0.384016 0.250000 B\n0.615984 0.384016 0.750000 B\n0.384016 0.615984 0.750000 B\n0.615984 0.615984 0.250000 B\n0.803857 0.678678 0.185071 B\n0.196143 0.678678 0.685071 B\n0.821322 0.696143 0.685071 B\n0.178678 0.696143 0.185071 B\n0.321322 0.803857 0.814929 B\n0.678678 0.803857 0.314929 B\n0.303857 0.821322 0.314929 B\n0.696143 0.821322 0.814929 B\n0.884016 0.884016 0.750000 B\n0.115984 0.884016 0.250000 B\n0.884016 0.115984 0.250000 B\n0.115984 0.115984 0.750000 B\n0.696143 0.178678 0.314929 B\n0.303857 0.178678 0.814929 B\n0.678678 0.196143 0.814929 B\n0.321322 0.196143 0.314929 B\n0.500000 0.500000 0.000000 P\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.040482 0.284203 0.134550 H\n0.959518 0.284203 0.634550 H\n0.784203 0.459518 0.134550 H\n0.215797 0.459518 0.634550 H\n0.215797 0.540482 0.134550 H\n0.784203 0.540482 0.634550 H\n0.959518 0.715797 0.134550 H\n0.040482 0.715797 0.634550 H\n0.459518 0.784203 0.365450 H\n0.540482 0.784203 0.865450 H\n0.715797 0.959518 0.365450 H\n0.284203 0.959518 0.865450 H\n0.284203 0.040482 0.365450 H\n0.715797 0.040482 0.865450 H\n0.459518 0.215797 0.865450 H\n0.540482 0.215797 0.365450 H\n0.401423 0.273478 0.317234 O\n0.598577 0.273478 0.817234 O\n0.281800 0.281800 0.750000 O\n0.718200 0.281800 0.250000 O\n0.093388 0.344586 0.123332 O\n0.906612 0.344586 0.623332 O\n0.466963 0.400337 0.110606 O\n0.533037 0.400337 0.610606 O\n0.273478 0.401423 0.182766 O\n0.726522 0.401423 0.682766 O\n0.844586 0.406612 0.123332 O\n0.155414 0.406612 0.623332 O\n0.400337 0.466963 0.389394 O\n0.599663 0.466963 0.889394 O\n0.599663 0.533037 0.389394 O\n0.400337 0.533037 0.889394 O\n0.844586 0.593388 0.623332 O\n0.155414 0.593388 0.123332 O\n0.273478 0.598577 0.682766 O\n0.726522 0.598577 0.182766 O\n0.466963 0.599663 0.610606 O\n0.533037 0.599663 0.110606 O\n0.906612 0.655414 0.123332 O\n0.093388 0.655414 0.623332 O\n0.718200 0.718200 0.750000 O\n0.281800 0.718200 0.250000 O\n0.401423 0.726522 0.817234 O\n0.598577 0.726522 0.317234 O\n0.901423 0.773478 0.682766 O\n0.098577 0.773478 0.182766 O\n0.781800 0.781800 0.250000 O\n0.218200 0.781800 0.750000 O\n0.406612 0.844586 0.376668 O\n0.593388 0.844586 0.876668 O\n0.966963 0.900337 0.889394 O\n0.033037 0.900337 0.389394 O\n0.773478 0.901423 0.817234 O\n0.226522 0.901423 0.317234 O\n0.344586 0.906612 0.876668 O\n0.655414 0.906612 0.376668 O\n0.900337 0.966963 0.610606 O\n0.099663 0.966963 0.110606 O\n0.900337 0.033037 0.110606 O\n0.099663 0.033037 0.610606 O\n0.344586 0.093388 0.376668 O\n0.655414 0.093388 0.876668 O\n0.773478 0.098577 0.317234 O\n0.226522 0.098577 0.817234 O\n0.966963 0.099663 0.389394 O\n0.033037 0.099663 0.889394 O\n0.406612 0.155414 0.876668 O\n0.593388 0.155414 0.376668 O\n0.781800 0.218200 0.750000 O\n0.218200 0.218200 0.250000 O\n0.901423 0.226522 0.182766 O\n0.098577 0.226522 0.682766 O\n",
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"volume": 1157.4248306710626,
"volume_molar": 6.702091585981062,
"formula_full": "K4 B24 P4 H16 O56",
"formula_reduced": "KB6P(H2O7)2",
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{
"id": "mp-1046534",
"created_at": "2022-09-04T14:48:04.061917Z",
"structure_string": "Mg2 Ti2 Si2 O10\n1.0\n4.189805 3.268970 0.000000\n-4.189805 3.268970 0.000000\n0.000000 3.002731 6.500597\nMg Ti Si O\n2 2 2 10\ndirect\n0.833269 0.176232 0.745514 Mg\n0.176232 0.833269 0.245514 Mg\n0.494696 0.508646 0.493614 Ti\n0.508646 0.494696 0.993614 Ti\n0.173400 0.827095 0.760144 Si\n0.827095 0.173400 0.260144 Si\n0.395499 0.827292 0.883514 O\n0.173468 0.605569 0.637446 O\n0.605569 0.173468 0.137446 O\n0.827292 0.395499 0.383514 O\n0.774196 0.870412 0.421977 O\n0.129264 0.228867 0.100104 O\n0.228867 0.129264 0.600104 O\n0.870412 0.774196 0.921977 O\n0.412544 0.591879 0.261456 O\n0.591879 0.412544 0.761456 O\n",
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"formula_full": "Mg2 Ti2 Si2 O10",
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{
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"structure_string": "Ca2 Ho2 Cr4 O12\n1.0\n5.303585 0.000000 0.000000\n0.000000 5.534345 0.000000\n0.000000 0.000000 7.583415\nCa Ho Cr O\n2 2 4 12\ndirect\n0.487487 0.197802 0.000000 Ca\n0.987487 0.802198 0.500000 Ca\n0.019421 0.683268 0.000000 Ho\n0.519421 0.316732 0.500000 Ho\n0.000684 0.246101 0.750039 Cr\n0.000684 0.246101 0.249961 Cr\n0.500684 0.753899 0.250039 Cr\n0.500684 0.753899 0.749961 Cr\n0.107248 0.220446 0.500000 O\n0.199731 0.943046 0.803434 O\n0.199731 0.943046 0.196566 O\n0.297995 0.462046 0.800736 O\n0.297995 0.462046 0.199264 O\n0.410398 0.714833 0.500000 O\n0.607248 0.779554 0.000000 O\n0.699731 0.056954 0.303434 O\n0.699731 0.056954 0.696566 O\n0.797995 0.537954 0.699264 O\n0.797995 0.537954 0.300736 O\n0.910398 0.285167 0.000000 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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}