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{
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{
"id": "mp-767952",
"created_at": "2022-09-04T14:46:08.533932Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.256446 0.000000 0.000000\n0.000000 5.230759 0.000000\n0.000000 0.632804 18.139870\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.530151 0.757080 0.630643 Na\n0.469849 0.242920 0.369357 Na\n0.969849 0.757080 0.130643 Na\n0.030151 0.242920 0.869357 Na\n0.246871 0.216941 0.578770 Mn\n0.753129 0.783059 0.421230 Mn\n0.253129 0.216941 0.078770 Mn\n0.746871 0.783059 0.921230 Mn\n0.748569 0.281242 0.533271 P\n0.251431 0.718758 0.466729 P\n0.751431 0.281242 0.033271 P\n0.248569 0.718758 0.966729 P\n0.256520 0.270519 0.710984 C\n0.743480 0.729481 0.289016 C\n0.243480 0.270519 0.210984 C\n0.756520 0.729481 0.789016 C\n0.761996 0.699411 0.722232 O\n0.253430 0.047743 0.678797 O\n0.252389 0.459971 0.660142 O\n0.943537 0.215460 0.581824 O\n0.558644 0.216134 0.586457 O\n0.739362 0.571877 0.511958 O\n0.263100 0.872595 0.537274 O\n0.736900 0.127405 0.462726 O\n0.260638 0.428123 0.488042 O\n0.441356 0.783866 0.413543 O\n0.056463 0.784540 0.418176 O\n0.747611 0.540029 0.339858 O\n0.746570 0.952257 0.321203 O\n0.238004 0.300589 0.277768 O\n0.738004 0.699411 0.222232 O\n0.246570 0.047743 0.178797 O\n0.247611 0.459971 0.160142 O\n0.941356 0.216134 0.086457 O\n0.556463 0.215460 0.081824 O\n0.760638 0.571877 0.011958 O\n0.236900 0.872595 0.037274 O\n0.763100 0.127405 0.962726 O\n0.239362 0.428123 0.988042 O\n0.443537 0.784540 0.918176 O\n0.058644 0.783866 0.913543 O\n0.752389 0.540029 0.839858 O\n0.753430 0.952257 0.821203 O\n0.261996 0.300589 0.777768 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
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"spacegroup": 14
},
{
"id": "mp-774606",
"created_at": "2022-09-04T14:41:53.467442Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.255156 0.000000 0.000000\n0.000000 9.080285 0.000000\n0.000000 0.341330 10.439759\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.030453 0.240449 0.374291 Na\n0.469547 0.240449 0.874291 Na\n0.969547 0.759551 0.625709 Na\n0.530453 0.759551 0.125709 Na\n0.749878 0.342185 0.641389 Mn\n0.750122 0.342185 0.141389 Mn\n0.250122 0.657815 0.358611 Mn\n0.249878 0.657815 0.858611 Mn\n0.248800 0.432990 0.608627 P\n0.251200 0.432990 0.108627 P\n0.751200 0.567010 0.391373 P\n0.748800 0.567010 0.891373 P\n0.740248 0.077342 0.614795 C\n0.759752 0.077342 0.114795 C\n0.259752 0.922658 0.385205 C\n0.240248 0.922658 0.885205 C\n0.262443 0.056133 0.400126 O\n0.237557 0.056133 0.900126 O\n0.738836 0.142000 0.726193 O\n0.761164 0.142000 0.226193 O\n0.747002 0.178440 0.519954 O\n0.752998 0.178440 0.019954 O\n0.056341 0.328349 0.634323 O\n0.440918 0.333501 0.646917 O\n0.059082 0.333501 0.146917 O\n0.443659 0.328349 0.134323 O\n0.250794 0.475699 0.463117 O\n0.759732 0.425917 0.314364 O\n0.249206 0.475699 0.963117 O\n0.740268 0.425917 0.814364 O\n0.240268 0.574083 0.685636 O\n0.749206 0.524301 0.536883 O\n0.259732 0.574083 0.185636 O\n0.750794 0.524301 0.036883 O\n0.559082 0.666499 0.353083 O\n0.943659 0.671651 0.365677 O\n0.556341 0.671651 0.865677 O\n0.940918 0.666499 0.853083 O\n0.252998 0.821560 0.480046 O\n0.247002 0.821560 0.980046 O\n0.261164 0.858000 0.273807 O\n0.238836 0.858000 0.773807 O\n0.737557 0.943867 0.599874 O\n0.762443 0.943867 0.099874 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
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"updated_at": "2021-11-28T01:35:31.371000Z",
"spacegroup": 14
},
{
"id": "mp-772844",
"created_at": "2022-09-04T14:42:10.020314Z",
"structure_string": "K2 Ti2 P2 C2 O14\n1.0\n6.413776 0.000000 0.000000\n0.000000 5.634538 0.000000\n0.000000 0.220134 9.853787\nK Ti P C O\n2 2 2 2 14\ndirect\n0.568502 0.750081 0.770842 K\n0.068502 0.249919 0.229158 K\n0.223694 0.227860 0.653471 Ti\n0.723694 0.772140 0.346529 Ti\n0.729999 0.263516 0.549089 P\n0.229999 0.736484 0.450911 P\n0.264066 0.281660 0.897270 C\n0.764066 0.718340 0.102730 C\n0.795971 0.694199 0.981301 O\n0.250593 0.073233 0.833660 O\n0.241148 0.457294 0.804416 O\n0.924031 0.227041 0.641199 O\n0.539186 0.227432 0.641686 O\n0.234121 0.919654 0.564913 O\n0.730837 0.517942 0.486297 O\n0.230837 0.482058 0.513703 O\n0.734121 0.080346 0.435087 O\n0.039186 0.772568 0.358314 O\n0.424031 0.772959 0.358801 O\n0.741148 0.542706 0.195584 O\n0.750593 0.926767 0.166340 O\n0.295971 0.305801 0.018699 O\n",
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"elements": [
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"density_atomic": 0.06177992975247344,
"volume": 356.10270338837995,
"volume_molar": 9.74773002191524,
"formula_full": "K2 Ti2 P2 C2 O14",
"formula_reduced": "KTiPCO7",
"formula_anonymous": "ABCDE7",
"energy": -175.31195582,
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"updated_at": "2021-11-28T01:35:38.087000Z",
"spacegroup": 4
},
{
"id": "mp-677151",
"created_at": "2022-09-04T14:42:45.980588Z",
"structure_string": "Yb4 Ti4 Cd4 Sb4 O28\n1.0\n7.301351 0.000000 0.000000\n0.000000 7.301351 0.000000\n0.000000 0.000000 10.336406\nYb Ti Cd Sb O\n4 4 4 4 28\ndirect\n0.000000 0.745486 0.000000 Yb\n0.745486 0.000000 0.750000 Yb\n0.000000 0.254514 0.500000 Yb\n0.254514 0.000000 0.250000 Yb\n0.765475 0.000000 0.250000 Ti\n0.000000 0.765475 0.500000 Ti\n0.000000 0.234525 0.000000 Ti\n0.234525 0.000000 0.750000 Ti\n0.500000 0.249510 0.500000 Cd\n0.500000 0.750490 0.000000 Cd\n0.750490 0.500000 0.750000 Cd\n0.249510 0.500000 0.250000 Cd\n0.246486 0.500000 0.750000 Sb\n0.500000 0.753514 0.500000 Sb\n0.500000 0.246486 0.000000 Sb\n0.753514 0.500000 0.250000 Sb\n0.255872 0.744128 0.125000 O\n0.551328 0.954240 0.371450 O\n0.754957 0.755445 0.571577 O\n0.744128 0.255872 0.625000 O\n0.755445 0.754957 0.178423 O\n0.949581 0.949581 0.375000 O\n0.050419 0.050419 0.875000 O\n0.050419 0.949581 0.625000 O\n0.045760 0.448672 0.878550 O\n0.245043 0.244555 0.071577 O\n0.245043 0.755445 0.428423 O\n0.244555 0.754957 0.821577 O\n0.244555 0.245043 0.678423 O\n0.448672 0.045760 0.871450 O\n0.448672 0.954240 0.628550 O\n0.452129 0.452129 0.875000 O\n0.547871 0.547871 0.375000 O\n0.551328 0.045760 0.128550 O\n0.547871 0.452129 0.125000 O\n0.755445 0.245043 0.321577 O\n0.754957 0.244555 0.928423 O\n0.949581 0.050419 0.125000 O\n0.954240 0.551328 0.378550 O\n0.954240 0.448672 0.121450 O\n0.045760 0.551328 0.621450 O\n0.255872 0.255872 0.375000 O\n0.452129 0.547871 0.625000 O\n0.744128 0.744128 0.875000 O\n",
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"elements": [
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"density": 6.83553730677337,
"density_atomic": 0.07985032041760833,
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"formula_full": "Yb4 Ti4 Cd4 Sb4 O28",
"formula_reduced": "YbTiCdSbO7",
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"spacegroup": 91
},
{
"id": "mp-779262",
"created_at": "2022-09-04T14:43:01.771408Z",
"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n8.411918 0.021223 0.024901\n0.425758 5.125246 -0.002821\n0.038603 -0.010969 12.884041\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.108451 0.770089 0.126282 Li\n0.281921 0.244656 0.727062 Li\n0.890219 0.230449 0.378066 Li\n0.890611 0.224920 0.876153 Li\n0.331721 0.805112 0.376299 Fe\n0.336796 0.801837 0.878864 Fe\n0.665757 0.196168 0.125686 Fe\n0.665539 0.200316 0.624663 Fe\n0.422255 0.726276 0.126316 P\n0.423426 0.732673 0.626226 P\n0.575129 0.276935 0.373371 P\n0.579313 0.276126 0.875022 P\n0.045684 0.703681 0.869370 C\n0.042787 0.707015 0.377224 C\n0.957471 0.292863 0.123988 C\n0.957020 0.286226 0.628623 C\n0.073706 0.949401 0.375722 O\n0.074592 0.947869 0.875046 O\n0.093048 0.378513 0.123842 O\n0.099753 0.334019 0.638207 O\n0.174363 0.537989 0.863965 O\n0.167836 0.538490 0.377646 O\n0.321438 0.793200 0.529773 O\n0.311958 0.795580 0.031680 O\n0.307459 0.795223 0.218679 O\n0.318781 0.833807 0.720044 O\n0.423410 0.130259 0.372521 O\n0.421698 0.140007 0.868375 O\n0.477095 0.431477 0.125557 O\n0.465865 0.431133 0.638967 O\n0.520479 0.571534 0.369543 O\n0.526745 0.572242 0.876730 O\n0.574485 0.871906 0.126653 O\n0.580833 0.867002 0.623086 O\n0.691122 0.204514 0.281512 O\n0.682411 0.218664 0.469322 O\n0.691784 0.208602 0.781693 O\n0.685438 0.196101 0.969168 O\n0.831088 0.459483 0.123503 O\n0.839856 0.467175 0.623835 O\n0.906611 0.624079 0.375948 O\n0.910863 0.617944 0.872097 O\n0.928158 0.049695 0.124428 O\n0.909211 0.053232 0.623250 O\n",
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"formula_full": "Li4 Fe4 P4 C4 O28",
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{
"id": "mp-770650",
"created_at": "2022-09-04T14:43:40.566245Z",
"structure_string": "Li2 V2 Si2 C2 O14\n1.0\n6.381732 0.000000 0.000000\n0.000000 5.332744 0.000000\n0.000000 0.897573 8.635387\nLi V Si C O\n2 2 2 2 14\ndirect\n0.468977 0.778921 0.810745 Li\n0.968977 0.221079 0.189255 Li\n0.247885 0.195359 0.660924 V\n0.747885 0.804641 0.339076 V\n0.751187 0.263155 0.564859 Si\n0.251187 0.736845 0.435141 Si\n0.252003 0.277344 0.934222 C\n0.752003 0.722656 0.065778 C\n0.717576 0.684877 0.929995 O\n0.253775 0.050409 0.880879 O\n0.280867 0.453997 0.817082 O\n0.963862 0.199520 0.666929 O\n0.549805 0.174827 0.668136 O\n0.261524 0.882544 0.593378 O\n0.754691 0.567152 0.503302 O\n0.254691 0.432848 0.496698 O\n0.761524 0.117456 0.406622 O\n0.049805 0.825173 0.331864 O\n0.463862 0.800480 0.333071 O\n0.780867 0.546003 0.182918 O\n0.753775 0.949591 0.119121 O\n0.217576 0.315123 0.070005 O\n",
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"formula_full": "Li2 V2 Si2 C2 O14",
"formula_reduced": "LiVSiCO7",
"formula_anonymous": "ABCDE7",
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{
"id": "mp-25464",
"created_at": "2022-09-04T14:43:51.654954Z",
"structure_string": "Li2 Co2 P2 C2 O14\n1.0\n6.071143 0.000000 0.000000\n0.000000 5.031859 0.000000\n0.000000 0.630491 8.576513\nLi Co P C O\n2 2 2 2 14\ndirect\n0.990014 0.219779 0.220363 Li\n0.490014 0.780221 0.779637 Li\n0.749759 0.790758 0.334274 Co\n0.249759 0.209242 0.665726 Co\n0.254800 0.721816 0.429664 P\n0.754800 0.278184 0.570336 P\n0.748942 0.725420 0.066349 C\n0.248942 0.274580 0.933651 C\n0.560444 0.180400 0.678405 O\n0.753216 0.959788 0.125620 O\n0.266874 0.464021 0.817585 O\n0.766874 0.535979 0.182415 O\n0.449296 0.791955 0.315439 O\n0.765336 0.137459 0.417604 O\n0.949296 0.208045 0.684561 O\n0.265336 0.862541 0.582396 O\n0.060444 0.819600 0.321595 O\n0.239612 0.416367 0.468273 O\n0.724908 0.683408 0.928243 O\n0.224908 0.316592 0.071757 O\n0.739612 0.583633 0.531727 O\n0.253216 0.040212 0.874380 O\n",
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"formula_full": "Li2 Co2 P2 C2 O14",
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{
"id": "mp-1220084",
"created_at": "2022-09-04T14:44:29.483308Z",
"structure_string": "Nd2 Ti2 Cd2 Sb2 O14\n1.0\n-3.631506 3.765681 5.167604\n3.631506 -3.765681 5.167604\n3.631506 3.765681 -5.167604\nNd Ti Cd Sb O\n2 2 2 2 14\ndirect\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.927025 0.177025 0.750000 O\n0.326954 0.576954 0.750000 O\n0.935642 0.579006 0.760024 O\n0.318981 0.175618 0.739976 O\n0.935642 0.175618 0.356637 O\n0.318981 0.579006 0.143363 O\n0.072975 0.822975 0.250000 O\n0.673046 0.423046 0.250000 O\n0.064358 0.420994 0.239976 O\n0.681019 0.824382 0.260024 O\n0.064358 0.824382 0.643363 O\n0.681019 0.420994 0.856637 O\n0.618534 0.868534 0.750000 O\n0.381466 0.131466 0.250000 O\n",
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