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{
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{
"id": "mp-761337",
"created_at": "2022-09-04T14:45:31.420715Z",
"structure_string": "Sr6 Cr6 O18\n1.0\n5.531538 0.000000 0.000000\n2.760159 -4.817954 0.000000\n0.002922 -0.000065 -13.685607\nSr Cr O\n6 6 18\ndirect\n0.332686 0.333849 0.907388 Sr\n0.003119 0.000213 0.750060 Sr\n0.004332 0.000481 0.250042 Sr\n0.332640 0.333684 0.593385 Sr\n0.666389 0.666223 0.406886 Sr\n0.666517 0.666566 0.093365 Sr\n0.339116 0.337189 0.155464 Cr\n0.005636 0.999303 0.000005 Cr\n0.005070 0.999144 0.499876 Cr\n0.338695 0.337177 0.344747 Cr\n0.676473 0.663054 0.844558 Cr\n0.676193 0.662916 0.655334 Cr\n0.158947 0.160277 0.419283 O\n0.160042 0.160647 0.080327 O\n0.030137 0.482713 0.249831 O\n0.163850 0.661315 0.417958 O\n0.165041 0.661489 0.081903 O\n0.485317 0.028636 0.249909 O\n0.494144 0.490810 0.250043 O\n0.667212 0.161208 0.418964 O\n0.668097 0.161202 0.081077 O\n0.321151 0.839091 0.920393 O\n0.320183 0.838807 0.579641 O\n0.512068 0.517543 0.750068 O\n0.513027 0.971898 0.749981 O\n0.827321 0.338355 0.917897 O\n0.826014 0.338700 0.582046 O\n0.983832 0.509908 0.749818 O\n0.827822 0.838636 0.581010 O\n0.829156 0.838539 0.918736 O\n",
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},
{
"id": "mp-1048376",
"created_at": "2022-09-04T14:44:57.469023Z",
"structure_string": "Ca4 Co4 P8 O28\n1.0\n8.778753 0.000000 0.000000\n0.000000 7.378348 0.000000\n0.000000 4.138496 8.211396\nCa Co P O\n4 4 8 28\ndirect\n0.949099 0.729530 0.123610 Ca\n0.449099 0.270470 0.376390 Ca\n0.550901 0.729530 0.623610 Ca\n0.050901 0.270470 0.876390 Ca\n0.067235 0.229743 0.385757 Co\n0.932765 0.770257 0.614243 Co\n0.567235 0.770257 0.114243 Co\n0.432765 0.229743 0.885757 Co\n0.726498 0.047321 0.763721 P\n0.247132 0.529473 0.035308 P\n0.773502 0.047321 0.263721 P\n0.252868 0.529473 0.535308 P\n0.226498 0.952679 0.736279 P\n0.747132 0.470527 0.464692 P\n0.752868 0.470527 0.964692 P\n0.273502 0.952679 0.236279 P\n0.181688 0.742791 0.895112 O\n0.627783 0.068951 0.344280 O\n0.872217 0.068951 0.844280 O\n0.393102 0.564185 0.109826 O\n0.818312 0.257209 0.104888 O\n0.085061 0.987045 0.625976 O\n0.606898 0.435815 0.890174 O\n0.109333 0.467317 0.151655 O\n0.232978 0.388181 0.455743 O\n0.914939 0.012955 0.374024 O\n0.414939 0.987045 0.125976 O\n0.760829 0.893399 0.195360 O\n0.260829 0.106601 0.304640 O\n0.318312 0.742791 0.395112 O\n0.585061 0.012955 0.874024 O\n0.127783 0.931049 0.155720 O\n0.239171 0.106601 0.804640 O\n0.890667 0.532683 0.848345 O\n0.267022 0.388181 0.955743 O\n0.732978 0.611819 0.044257 O\n0.893102 0.435815 0.390174 O\n0.390667 0.467317 0.651655 O\n0.609333 0.532683 0.348345 O\n0.372217 0.931049 0.655720 O\n0.739171 0.893399 0.695360 O\n0.106898 0.564185 0.609826 O\n0.767022 0.611819 0.544257 O\n0.681688 0.257209 0.604888 O\n",
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"elements": [
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"O"
],
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"density": 3.4087128368325597,
"density_atomic": 0.08272632179066577,
"volume": 531.8742456764787,
"volume_molar": 7.27959448655131,
"formula_full": "Ca4 Co4 P8 O28",
"formula_reduced": "CaCoP2O7",
"formula_anonymous": "ABC2D7",
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"updated_at": "2021-11-28T01:36:49.316000Z",
"spacegroup": 14
},
{
"id": "mp-640227",
"created_at": "2022-09-04T14:46:02.794976Z",
"structure_string": "K2 Eu2 W4 O16\n1.0\n5.432070 5.530914 0.000000\n-5.432070 5.530914 0.000000\n0.000000 4.840168 5.708982\nK Eu W O\n2 2 4 16\ndirect\n0.706472 0.293528 0.250000 K\n0.293528 0.706472 0.750000 K\n0.725892 0.274108 0.750000 Eu\n0.274108 0.725892 0.250000 Eu\n0.810124 0.800039 0.215118 W\n0.189876 0.199961 0.784882 W\n0.199961 0.189876 0.284882 W\n0.800039 0.810124 0.715118 W\n0.545766 0.720427 0.316681 O\n0.751316 0.875319 0.442458 O\n0.875319 0.751316 0.942458 O\n0.872033 0.088429 0.972052 O\n0.720427 0.545766 0.816681 O\n0.279573 0.454234 0.183319 O\n0.873272 0.565318 0.367811 O\n0.124681 0.248684 0.057542 O\n0.454234 0.279573 0.683319 O\n0.565318 0.873272 0.867811 O\n0.248684 0.124681 0.557542 O\n0.911571 0.127967 0.527948 O\n0.088429 0.872033 0.472052 O\n0.127967 0.911571 0.027948 O\n0.434682 0.126728 0.132189 O\n0.126728 0.434682 0.632189 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 6.648427288346691,
"density_atomic": 0.06996169274615426,
"volume": 343.04487295755524,
"volume_molar": 8.60776879977798,
"formula_full": "K2 Eu2 W4 O16",
"formula_reduced": "KEu(WO4)2",
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"energy": -213.38991529,
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"updated_at": "2021-11-28T01:37:15.730000Z",
"spacegroup": 15
},
{
"id": "mp-1175722",
"created_at": "2022-09-04T14:47:28.698470Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.896631 0.000000 0.000000\n-1.472674 -6.318716 0.000000\n-1.150205 0.136392 -7.672077\nLi Mn Co O\n9 2 5 16\ndirect\n0.121394 0.135712 0.384140 Li\n0.612568 0.616601 0.866173 Li\n0.353424 0.870556 0.615719 Li\n0.879076 0.376971 0.134387 Li\n0.639931 0.136636 0.387661 Li\n0.119156 0.618500 0.860489 Li\n0.886963 0.862541 0.624495 Li\n0.377919 0.380419 0.125881 Li\n0.997130 0.501521 0.500993 Li\n0.004073 0.000273 0.001958 Mn\n0.248035 0.747575 0.253129 Mn\n0.500342 0.502624 0.499960 Co\n0.754623 0.255872 0.741616 Co\n0.502680 0.997674 0.999082 Co\n0.756289 0.752791 0.256558 Co\n0.243799 0.251493 0.741156 Co\n0.827717 0.043129 0.186063 O\n0.317478 0.546180 0.683856 O\n0.074248 0.811340 0.423149 O\n0.563293 0.283584 0.931820 O\n0.298756 0.045389 0.165658 O\n0.794379 0.553619 0.684434 O\n0.542027 0.810186 0.412715 O\n0.060862 0.290973 0.936304 O\n0.441386 0.192261 0.566807 O\n0.957704 0.705927 0.082682 O\n0.710435 0.941428 0.844837 O\n0.195559 0.460712 0.309506 O\n0.929504 0.181990 0.576899 O\n0.435622 0.712424 0.068026 O\n0.175106 0.947626 0.819669 O\n0.678521 0.465474 0.314179 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.1999346647040525,
"density_atomic": 0.11194488074191347,
"volume": 285.85496530006867,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.5092749,
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{
"id": "mp-26991",
"created_at": "2022-09-04T14:41:52.130835Z",
"structure_string": "Li4 Co4 P12 O36\n1.0\n8.462882 0.000000 0.000000\n0.000000 8.642456 0.000000\n0.000000 0.000000 8.763207\nLi Co P O\n4 4 12 36\ndirect\n0.152273 0.135020 0.384643 Li\n0.847727 0.635020 0.115357 Li\n0.652273 0.364980 0.615357 Li\n0.347727 0.864980 0.884643 Li\n0.871319 0.355080 0.340357 Co\n0.628681 0.644920 0.840357 Co\n0.371319 0.144920 0.659643 Co\n0.128681 0.855080 0.159643 Co\n0.686148 0.021031 0.811124 P\n0.702181 0.690419 0.439622 P\n0.797819 0.309581 0.939622 P\n0.813852 0.978969 0.311124 P\n0.029718 0.320764 0.682607 P\n0.186148 0.478969 0.188876 P\n0.202181 0.809581 0.560378 P\n0.297819 0.190419 0.060378 P\n0.970282 0.820764 0.817393 P\n0.470282 0.679236 0.182607 P\n0.529718 0.179236 0.317393 P\n0.313852 0.521031 0.688876 P\n0.602805 0.627508 0.080624 O\n0.897195 0.372492 0.580624 O\n0.909517 0.113564 0.368278 O\n0.959716 0.274387 0.846501 O\n0.040284 0.774387 0.653499 O\n0.090483 0.613564 0.131722 O\n0.102805 0.872492 0.919376 O\n0.118419 0.384298 0.318272 O\n0.133534 0.192594 0.623551 O\n0.139418 0.464551 0.735786 O\n0.159087 0.862423 0.403332 O\n0.189611 0.091594 0.155826 O\n0.226007 0.363740 0.048251 O\n0.273993 0.636260 0.548251 O\n0.310389 0.908406 0.655826 O\n0.340913 0.137577 0.903332 O\n0.360582 0.535449 0.235786 O\n0.366466 0.807406 0.123551 O\n0.381581 0.615702 0.818272 O\n0.397195 0.127508 0.419376 O\n0.409517 0.386436 0.631722 O\n0.866466 0.692594 0.876449 O\n0.540284 0.725613 0.346501 O\n0.590483 0.886436 0.868278 O\n0.459716 0.225613 0.153499 O\n0.618419 0.115702 0.681728 O\n0.633534 0.307406 0.376449 O\n0.639418 0.035449 0.264214 O\n0.659087 0.637577 0.596668 O\n0.689611 0.408406 0.844174 O\n0.726007 0.136260 0.951749 O\n0.773993 0.863740 0.451749 O\n0.810389 0.591594 0.344174 O\n0.840913 0.362423 0.096668 O\n0.860582 0.964551 0.764214 O\n0.881581 0.884298 0.181728 O\n",
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],
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"volume_molar": 6.892573539944165,
"formula_full": "Li4 Co4 P12 O36",
"formula_reduced": "LiCo(PO3)3",
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"energy": -419.37474092,
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"updated_at": "2021-11-28T01:35:34.045000Z",
"spacegroup": 19
},
{
"id": "mp-1041960",
"created_at": "2022-09-04T14:40:43.600650Z",
"structure_string": "Ca2 Cr4 O8\n1.0\n-3.093815 3.212410 4.323878\n3.093815 -3.212410 4.323878\n3.093815 3.212410 -4.323878\nCa Cr O\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.631535 0.881535 0.750000 Cr\n0.368465 0.118465 0.250000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.236435 0.230317 0.493882 O\n0.205881 0.235441 0.970440 O\n0.236435 0.742554 0.006118 O\n0.765001 0.235441 0.529560 O\n0.234999 0.764559 0.470440 O\n0.794119 0.764559 0.029560 O\n0.763565 0.257446 0.993882 O\n0.763565 0.769683 0.506118 O\n",
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],
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"density_atomic": 0.08144591425989127,
"volume": 171.89321437692325,
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"formula_full": "Ca2 Cr4 O8",
"formula_reduced": "CaCr2O4",
"formula_anonymous": "AB2C4",
"energy": -115.96375905,
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"updated_at": "2021-11-28T01:35:10.827000Z",
"spacegroup": 74
},
{
"id": "mp-1291653",
"created_at": "2022-09-04T14:41:04.497562Z",
"structure_string": "Li2 Co10 O14 F2\n1.0\n-0.091543 4.113282 4.136882\n4.103455 -0.091298 4.136576\n8.295760 4.110475 -4.315329\nLi Co O F\n2 10 14 2\ndirect\n0.021901 0.013136 0.007139 Li\n0.514519 0.013086 0.501803 Li\n0.360205 0.236086 0.124223 Co\n0.861881 0.239984 0.622783 Co\n0.936294 0.624549 0.312720 Co\n0.435160 0.126096 0.811762 Co\n0.938156 0.623321 0.811425 Co\n0.441984 0.628836 0.812034 Co\n0.683134 0.618465 0.063557 Co\n0.175193 0.612760 0.561505 Co\n0.920942 0.127501 0.307820 Co\n0.435400 0.614161 0.307789 Co\n0.560504 0.376718 0.183200 O\n0.066771 0.386101 0.680176 O\n0.019795 0.382778 0.195500 O\n0.529344 0.385521 0.698479 O\n0.578610 0.824332 0.195360 O\n0.084544 0.831152 0.697475 O\n0.798761 0.385994 0.414678 O\n0.291630 0.372521 0.919614 O\n0.073647 0.858597 0.213780 O\n0.591614 0.882782 0.708362 O\n0.291305 0.423740 0.424737 O\n0.793323 0.431393 0.928249 O\n0.844864 0.868826 0.423575 O\n0.361136 0.862700 0.928748 O\n0.314742 0.870594 0.447366 F\n0.824647 0.878275 0.946148 F\n",
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],
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"formula_full": "Li2 Co10 O14 F2",
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"spacegroup": 8
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{
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