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{
"id": "mp-1250185",
"created_at": "2022-09-04T14:46:32.624073Z",
"structure_string": "Ca8 Mn8 Si12 O48\n1.0\n-6.006641 6.006641 5.939744\n6.006641 -6.006641 5.939744\n6.006641 6.006641 -5.939744\nCa Mn Si O\n8 8 12 48\ndirect\n0.875000 0.004180 0.629180 Ca\n0.375000 0.245820 0.370820 Ca\n0.254180 0.125000 0.629180 Ca\n0.495820 0.625000 0.370820 Ca\n0.375000 0.745820 0.870820 Ca\n0.875000 0.504180 0.129180 Ca\n0.995820 0.625000 0.870820 Ca\n0.754180 0.125000 0.129180 Ca\n0.125000 0.875000 0.250000 Mn\n0.625000 0.875000 0.250000 Mn\n0.125000 0.375000 0.250000 Mn\n0.625000 0.375000 0.250000 Mn\n0.125000 0.375000 0.750000 Mn\n0.625000 0.875000 0.750000 Mn\n0.625000 0.375000 0.750000 Mn\n0.125000 0.875000 0.750000 Mn\n0.500000 0.500000 0.000000 Si\n0.000442 0.125000 0.375442 Si\n0.000000 0.000000 0.000000 Si\n0.375000 0.999558 0.124558 Si\n0.250000 0.750000 0.500000 Si\n0.375000 0.499558 0.624558 Si\n0.875000 0.250442 0.875442 Si\n0.500442 0.125000 0.875442 Si\n0.875000 0.750442 0.375442 Si\n0.249558 0.625000 0.124558 Si\n0.750000 0.250000 0.500000 Si\n0.749558 0.625000 0.624558 Si\n0.713796 0.065978 0.446081 O\n0.615598 0.482322 0.438980 O\n0.134402 0.073381 0.366724 O\n0.318586 0.986282 0.252298 O\n0.016016 0.263718 0.832304 O\n0.517715 0.463796 0.147819 O\n0.315978 0.369897 0.852181 O\n0.732322 0.793342 0.366724 O\n0.433713 0.766016 0.252298 O\n0.426619 0.365598 0.633276 O\n0.236282 0.483984 0.167696 O\n0.017678 0.884402 0.561020 O\n0.513718 0.181414 0.747702 O\n0.316287 0.068586 0.832304 O\n0.323381 0.456658 0.438980 O\n0.036204 0.982285 0.852181 O\n0.043342 0.176619 0.561020 O\n0.130103 0.184022 0.147819 O\n0.431414 0.183713 0.167696 O\n0.619897 0.267715 0.553919 O\n0.017715 0.869897 0.053919 O\n0.706658 0.767678 0.633276 O\n0.733984 0.066287 0.747702 O\n0.232285 0.880103 0.446081 O\n0.536204 0.684022 0.053919 O\n0.634402 0.267678 0.061020 O\n0.115598 0.676619 0.133276 O\n0.931414 0.763718 0.247702 O\n0.233984 0.486282 0.667696 O\n0.732285 0.286204 0.352181 O\n0.934022 0.380103 0.647819 O\n0.517678 0.956658 0.133276 O\n0.816287 0.983984 0.247702 O\n0.823381 0.384402 0.866724 O\n0.013718 0.266016 0.332304 O\n0.232322 0.865598 0.938980 O\n0.736282 0.568586 0.752298 O\n0.933713 0.681414 0.667696 O\n0.926619 0.293342 0.061020 O\n0.213796 0.767715 0.647819 O\n0.206658 0.573381 0.938980 O\n0.119897 0.565978 0.352181 O\n0.818586 0.566287 0.332304 O\n0.630103 0.482285 0.946081 O\n0.815978 0.963796 0.946081 O\n0.543342 0.982322 0.866724 O\n0.516016 0.683713 0.752298 O\n0.434022 0.786204 0.553919 O\n",
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],
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"density": 3.612984513783998,
"density_atomic": 0.08865893724630589,
"volume": 857.2175841546833,
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"formula_full": "Ca8 Mn8 Si12 O48",
"formula_reduced": "Ca2Mn2(SiO4)3",
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"spacegroup": 142
},
{
"id": "mp-775770",
"created_at": "2022-09-04T14:44:00.379305Z",
"structure_string": "Mn3 Nb1 Ni2 P6 O24\n1.0\n7.374166 -4.351969 0.000000\n7.374166 4.351969 0.000000\n4.805789 0.000000 7.086773\nMn Nb Ni P O\n3 1 2 6 24\ndirect\n0.145069 0.145069 0.145069 Mn\n0.357473 0.357473 0.357473 Mn\n0.643160 0.643160 0.643160 Mn\n0.857257 0.857257 0.857257 Nb\n0.004456 0.004456 0.004456 Ni\n0.500887 0.500887 0.500887 Ni\n0.748267 0.047877 0.446970 P\n0.047877 0.446970 0.748267 P\n0.446970 0.748267 0.047877 P\n0.540367 0.257054 0.954384 P\n0.954384 0.540367 0.257054 P\n0.257054 0.954384 0.540367 P\n0.318067 0.108348 0.510237 O\n0.510237 0.318067 0.108348 O\n0.910505 0.062825 0.254163 O\n0.108348 0.510237 0.318067 O\n0.822390 0.990753 0.611054 O\n0.594836 0.242749 0.446235 O\n0.062825 0.254163 0.910505 O\n0.242749 0.446235 0.594836 O\n0.389168 0.186060 0.990922 O\n0.446235 0.594836 0.242749 O\n0.742662 0.093458 0.934860 O\n0.990922 0.389168 0.186060 O\n0.990753 0.611054 0.822390 O\n0.254163 0.910505 0.062825 O\n0.560454 0.409546 0.754567 O\n0.611054 0.822390 0.990753 O\n0.754567 0.560454 0.409546 O\n0.934860 0.742662 0.093458 O\n0.409546 0.754567 0.560454 O\n0.186060 0.990922 0.389168 O\n0.891118 0.487333 0.684470 O\n0.093458 0.934860 0.742662 O\n0.487333 0.684470 0.891118 O\n0.684470 0.891118 0.487333 O\n",
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"density_atomic": 0.07914532745929559,
"volume": 454.85944850648053,
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"formula_full": "Mn3 Nb1 Ni2 P6 O24",
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{
"id": "mp-1173213",
"created_at": "2022-09-04T14:44:19.248627Z",
"structure_string": "Sr8 Nb4 O18\n1.0\n5.876556 0.000000 0.000000\n2.878047 5.130022 0.000000\n0.172167 0.017492 14.676827\nSr Nb O\n8 4 18\ndirect\n0.736081 0.630654 0.919191 Sr\n0.395282 0.349433 0.805675 Sr\n0.303577 0.375273 0.560573 Sr\n0.043733 0.009988 0.762885 Sr\n0.028043 0.982156 0.251315 Sr\n0.981976 0.034553 0.525312 Sr\n0.668660 0.674460 0.394279 Sr\n0.384596 0.307090 0.071158 Sr\n0.054453 0.976840 0.997401 Nb\n0.707628 0.637025 0.668111 Nb\n0.365552 0.311358 0.329656 Nb\n0.704118 0.649539 0.162088 Nb\n0.738925 0.175259 0.928050 O\n0.260535 0.096344 0.937832 O\n0.484831 0.738322 0.783408 O\n0.393076 0.947405 0.616484 O\n0.974345 0.438297 0.771609 O\n0.158287 0.658863 0.934447 O\n0.972877 0.751997 0.648608 O\n0.837367 0.494210 0.537342 O\n0.200497 0.152997 0.395447 O\n0.014726 0.533899 0.249843 O\n0.697117 0.096959 0.389077 O\n0.654922 0.322362 0.664468 O\n0.262757 0.610919 0.406184 O\n0.573177 0.444399 0.239754 O\n0.839435 0.859949 0.093125 O\n0.391562 0.756601 0.084183 O\n0.482238 0.981792 0.234384 O\n0.921296 0.323123 0.087978 O\n",
"nsites": 30,
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"volume": 442.4602717711825,
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"formula_full": "Sr8 Nb4 O18",
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"energy": -239.32385601,
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"updated_at": "2021-11-28T01:36:35.300000Z",
"spacegroup": 1
},
{
"id": "mp-866173",
"created_at": "2022-09-04T14:41:08.417029Z",
"structure_string": "Y2 Ru1 Rh1\n1.0\n0.000000 3.426914 3.426914\n3.426914 0.000000 3.426914\n3.426914 3.426914 0.000000\nY Ru Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Rh\n",
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"formula_full": "Y2 Ru1 Rh1",
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{
"id": "mp-976384",
"created_at": "2022-09-04T14:45:58.474286Z",
"structure_string": "Ho4 B16 W4\n1.0\n3.619031 0.000000 0.000000\n0.000000 6.031744 0.000000\n0.000000 0.000000 11.653550\nHo B W\n4 16 4\ndirect\n0.000000 0.127115 0.149590 Ho\n0.000000 0.872885 0.850410 Ho\n0.000000 0.627115 0.350410 Ho\n0.000000 0.372885 0.649590 Ho\n0.500000 0.476845 0.193557 B\n0.500000 0.523155 0.806443 B\n0.500000 0.976845 0.306443 B\n0.500000 0.023155 0.693557 B\n0.500000 0.287796 0.313371 B\n0.500000 0.712204 0.686629 B\n0.500000 0.787796 0.186629 B\n0.500000 0.212204 0.813371 B\n0.500000 0.366798 0.467928 B\n0.500000 0.633202 0.532072 B\n0.500000 0.866798 0.032072 B\n0.500000 0.133202 0.967928 B\n0.500000 0.385831 0.047525 B\n0.500000 0.614169 0.952475 B\n0.500000 0.885831 0.452475 B\n0.500000 0.114169 0.547525 B\n0.000000 0.131124 0.415385 W\n0.000000 0.868876 0.584615 W\n0.000000 0.631124 0.084615 W\n0.000000 0.368876 0.915385 W\n",
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{
"id": "mp-849735",
"created_at": "2022-09-04T14:45:39.336644Z",
"structure_string": "Li4 Cr4 Si4 O16\n1.0\n4.734633 0.000001 -0.000001\n0.000002 6.149872 0.000000\n-0.000001 0.000000 10.276054\nLi Cr Si O\n4 4 4 16\ndirect\n0.017723 0.005356 0.215323 Li\n0.482277 0.005356 0.715324 Li\n0.517723 0.505356 0.284670 Li\n0.982277 0.505356 0.784671 Li\n0.000051 0.256703 0.500076 Cr\n0.500050 0.256693 0.000008 Cr\n0.499982 0.756769 0.999970 Cr\n0.999921 0.756678 0.500024 Cr\n0.080908 0.506666 0.090497 Si\n0.419095 0.506669 0.590497 Si\n0.580908 0.006669 0.409495 Si\n0.919096 0.006666 0.909495 Si\n0.250389 0.506478 0.943037 O\n0.221787 0.284734 0.150020 O\n0.221266 0.729088 0.149525 O\n0.234217 0.006665 0.419382 O\n0.265776 0.006669 0.919377 O\n0.278735 0.729084 0.649528 O\n0.278217 0.284735 0.650024 O\n0.249611 0.506476 0.443041 O\n0.750387 0.006476 0.556958 O\n0.721784 0.784733 0.349974 O\n0.721269 0.229087 0.350470 O\n0.734216 0.506670 0.080611 O\n0.765778 0.506664 0.580616 O\n0.778734 0.229085 0.850465 O\n0.778213 0.784736 0.849970 O\n0.749613 0.006477 0.056952 O\n",
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"formula_full": "Li4 Cr4 Si4 O16",
"formula_reduced": "LiCrSiO4",
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{
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"created_at": "2022-09-04T14:41:17.439875Z",
"structure_string": "K2 Ca1 Nd4 Nb2 O12\n1.0\n5.891769 -0.000927 0.000028\n-2.946826 6.035321 -1.711693\n-0.000015 0.124743 9.178816\nK Ca Nd Nb O\n2 1 4 2 12\ndirect\n0.115985 0.232522 0.487074 K\n0.853759 0.706539 0.452490 K\n0.922875 0.846116 0.782646 Ca\n0.163733 0.327462 0.956349 Nd\n0.578172 0.156265 0.183227 Nd\n0.409103 0.818368 0.810232 Nd\n0.873154 0.746236 0.093951 Nd\n0.647794 0.296078 0.705483 Nb\n0.344584 0.688929 0.291977 Nb\n0.993538 0.538582 0.825171 O\n0.221151 0.914608 0.288881 O\n0.234335 0.002012 0.991565 O\n0.783619 0.080966 0.711904 O\n0.693591 0.914710 0.288917 O\n0.767695 0.002000 0.991597 O\n0.296808 0.081067 0.711993 O\n0.991805 0.469849 0.182302 O\n0.665480 0.331220 0.511260 O\n0.326288 0.652842 0.489711 O\n0.477801 0.469644 0.182418 O\n0.544980 0.538802 0.825137 O\n",
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{
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{
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{
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{
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"structure_string": "Mn2 Fe4 P6 O24\n1.0\n7.395802 -4.330882 0.000000\n7.395802 4.330882 0.000000\n4.859696 0.000000 7.059589\nMn Fe P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.854572 0.854572 0.854572 Fe\n0.645428 0.645428 0.645428 Fe\n0.354572 0.354572 0.354572 Fe\n0.145428 0.145428 0.145428 Fe\n0.954600 0.250000 0.545400 P\n0.545400 0.954600 0.250000 P\n0.250000 0.545400 0.954600 P\n0.750000 0.454600 0.045400 P\n0.454600 0.045400 0.750000 P\n0.045400 0.750000 0.454600 P\n0.890314 0.681852 0.495385 O\n0.681852 0.495385 0.890314 O\n0.940454 0.089987 0.742617 O\n0.495385 0.890314 0.681852 O\n0.995385 0.181852 0.390314 O\n0.757383 0.410013 0.559546 O\n0.742617 0.940454 0.089987 O\n0.559546 0.757383 0.410013 O\n0.818148 0.609686 0.004615 O\n0.410013 0.559546 0.757383 O\n0.910013 0.257383 0.059546 O\n0.609686 0.004615 0.818148 O\n0.390314 0.995385 0.181852 O\n0.089987 0.742617 0.940454 O\n0.589987 0.440454 0.242617 O\n0.181852 0.390314 0.995385 O\n0.440454 0.242617 0.589987 O\n0.257383 0.059546 0.910013 O\n0.242617 0.589987 0.440454 O\n0.004615 0.818148 0.609686 O\n0.504615 0.109686 0.318148 O\n0.059546 0.910013 0.257383 O\n0.318148 0.504615 0.109686 O\n0.109686 0.318148 0.504615 O\n",
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}