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{
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{
"id": "mp-1176195",
"created_at": "2022-09-04T14:45:38.578128Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.966518 0.000000 0.000000\n1.456859 6.291049 0.000000\n0.808468 0.274969 15.391402\nLi Mn Co O\n9 2 5 16\ndirect\n0.924504 0.127203 0.806429 Li\n0.179897 0.620662 0.560778 Li\n0.440105 0.122082 0.313966 Li\n0.555111 0.891301 0.685196 Li\n0.822851 0.369764 0.436716 Li\n0.064282 0.878754 0.188600 Li\n0.693693 0.619227 0.064134 Li\n0.319310 0.374691 0.939611 Li\n0.898469 0.239377 0.628804 Li\n0.990500 0.001605 0.001710 Mn\n0.256377 0.487125 0.745146 Mn\n0.504840 0.009079 0.504442 Co\n0.744059 0.503554 0.250727 Co\n0.122835 0.749533 0.376214 Co\n0.381414 0.253826 0.127323 Co\n0.609578 0.757648 0.872550 Co\n0.420971 0.056179 0.910050 O\n0.744032 0.554862 0.667124 O\n0.954454 0.039004 0.409366 O\n0.089995 0.794844 0.785489 O\n0.361717 0.280241 0.524026 O\n0.565931 0.797471 0.284552 O\n0.243185 0.547207 0.159561 O\n0.817693 0.302814 0.036249 O\n0.402937 0.204811 0.720490 O\n0.675664 0.711513 0.466112 O\n0.937414 0.205956 0.217569 O\n0.071871 0.936269 0.584455 O\n0.258005 0.457033 0.342333 O\n0.551933 0.954716 0.095107 O\n0.144195 0.699902 0.963184 O\n0.752180 0.451748 0.831986 O\n",
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},
{
"id": "mp-754662",
"created_at": "2022-09-04T14:46:56.293093Z",
"structure_string": "Li2 Fe2 F8\n1.0\n-2.469018 2.469018 5.690299\n2.469018 -2.469018 5.690299\n2.469018 2.469018 -5.690299\nLi Fe F\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Fe\n0.250000 0.750000 0.500000 Fe\n0.201237 0.691760 0.031680 F\n0.441760 0.910080 0.990523 F\n0.919557 0.451237 0.009477 F\n0.660080 0.169557 0.968320 F\n0.089920 0.080443 0.531680 F\n0.830443 0.798763 0.490523 F\n0.308240 0.339920 0.509477 F\n0.548763 0.558240 0.468320 F\n",
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"formula_full": "Li2 Fe2 F8",
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},
{
"id": "mp-775180",
"created_at": "2022-09-04T14:42:42.691617Z",
"structure_string": "Li4 Co6 W2 O16\n1.0\n5.138998 2.935665 0.000000\n-5.138998 2.935665 0.000000\n0.000000 0.040500 9.655008\nLi Co W O\n4 6 2 16\ndirect\n0.666080 0.339242 0.094387 Li\n0.996653 0.998743 0.009865 Li\n0.998743 0.996653 0.509865 Li\n0.339242 0.666080 0.594387 Li\n0.829284 0.655537 0.780120 Co\n0.335986 0.172031 0.785449 Co\n0.825367 0.173760 0.786696 Co\n0.173760 0.825367 0.286696 Co\n0.655537 0.829284 0.280120 Co\n0.172031 0.335986 0.285449 Co\n0.668817 0.324711 0.510797 W\n0.324711 0.668817 0.010797 W\n0.853528 0.653153 0.410617 O\n0.527475 0.484252 0.639783 O\n0.675572 0.347703 0.887605 O\n0.980327 0.992277 0.701571 O\n0.992277 0.980327 0.201571 O\n0.344942 0.144755 0.412311 O\n0.966325 0.467467 0.657818 O\n0.540214 0.038105 0.656463 O\n0.166529 0.831465 0.912598 O\n0.831465 0.166529 0.412598 O\n0.467467 0.966325 0.157818 O\n0.038105 0.540214 0.156463 O\n0.347703 0.675572 0.387605 O\n0.653153 0.853528 0.910617 O\n0.484252 0.527475 0.139783 O\n0.144755 0.344942 0.912311 O\n",
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"formula_full": "Li4 Co6 W2 O16",
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"spacegroup": 9
},
{
"id": "mp-1105240",
"created_at": "2022-09-04T14:43:23.711231Z",
"structure_string": "K2 Nd2 Mn2 W2 O12\n1.0\n5.662192 0.000000 -0.055427\n0.000000 5.758181 0.000000\n0.003698 0.000000 8.270383\nK Nd Mn W O\n2 2 2 2 12\ndirect\n0.245325 0.753420 0.001989 K\n0.754675 0.253420 0.998011 K\n0.255129 0.822633 0.500965 Nd\n0.744871 0.322633 0.499035 Nd\n0.747572 0.777952 0.246469 Mn\n0.252428 0.277952 0.753531 Mn\n0.760661 0.769018 0.748851 W\n0.239339 0.269018 0.251149 W\n0.551930 0.033243 0.687849 O\n0.448070 0.533243 0.312151 O\n0.516433 0.065977 0.313374 O\n0.483567 0.565977 0.686626 O\n0.963717 0.459964 0.245739 O\n0.036283 0.959964 0.754261 O\n0.940054 0.483675 0.757770 O\n0.059946 0.983675 0.242230 O\n0.836243 0.740465 0.504690 O\n0.163757 0.240465 0.495310 O\n0.708496 0.777053 0.972056 O\n0.291504 0.277053 0.027944 O\n",
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"density_atomic": 0.07417073259792202,
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"formula_full": "K2 Nd2 Mn2 W2 O12",
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"formula_anonymous": "ABCDE6",
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{
"id": "mp-776849",
"created_at": "2022-09-04T14:46:28.012316Z",
"structure_string": "Li8 V6 Sn6 Sb4 O32\n1.0\n-3.090084 5.383654 -0.008135\n0.103590 0.028355 20.497067\n6.254444 0.042994 0.031299\nLi V Sn Sb O\n8 6 6 4 32\ndirect\n0.667111 0.445815 0.339722 Li\n0.667079 0.945792 0.339632 Li\n0.993185 0.496324 0.984216 Li\n0.993263 0.996292 0.984392 Li\n0.997494 0.249252 0.989876 Li\n0.997358 0.749208 0.989698 Li\n0.330517 0.199090 0.663916 Li\n0.330578 0.699080 0.664033 Li\n0.830504 0.608333 0.662198 V\n0.663887 0.357790 0.832222 V\n0.169494 0.357365 0.828372 V\n0.830458 0.108346 0.662166 V\n0.663891 0.857788 0.832084 V\n0.169456 0.857354 0.828357 V\n0.833582 0.107508 0.169369 Sn\n0.833536 0.607487 0.169353 Sn\n0.335832 0.107696 0.169836 Sn\n0.335870 0.607678 0.169802 Sn\n0.169954 0.357440 0.334883 Sn\n0.169921 0.857436 0.334898 Sn\n0.667386 0.248569 0.331071 Sb\n0.667466 0.748597 0.331194 Sb\n0.334972 0.495090 0.673765 Sb\n0.335115 0.995061 0.674161 Sb\n0.838150 0.301255 0.144279 O\n0.838168 0.801277 0.144221 O\n0.518742 0.171179 0.035209 O\n0.518756 0.671238 0.035279 O\n0.663363 0.052125 0.328690 O\n0.663728 0.552174 0.329365 O\n0.000540 0.159255 0.999755 O\n0.000261 0.659188 0.999220 O\n0.009372 0.407074 0.001028 O\n0.009475 0.907092 0.001068 O\n0.308088 0.300404 0.144165 O\n0.308003 0.800412 0.144171 O\n0.972168 0.163195 0.487589 O\n0.971894 0.663056 0.488194 O\n0.515727 0.162641 0.489830 O\n0.516623 0.662462 0.490511 O\n0.151478 0.047490 0.304935 O\n0.151571 0.547371 0.305085 O\n0.869891 0.309105 0.711619 O\n0.869819 0.809114 0.711673 O\n0.492932 0.414484 0.525013 O\n0.493030 0.914438 0.525064 O\n0.031618 0.414738 0.524806 O\n0.031535 0.914716 0.524798 O\n0.321455 0.303812 0.665567 O\n0.321346 0.803795 0.665460 O\n0.695010 0.053196 0.846007 O\n0.695334 0.553312 0.845359 O\n0.467454 0.409890 0.967514 O\n0.467530 0.909929 0.967504 O\n0.150329 0.053945 0.844266 O\n0.149300 0.554090 0.843544 O\n",
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"formula_full": "Li8 V6 Sn6 Sb4 O32",
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{
"id": "mp-1224256",
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"structure_string": "K5 Na1 Ni5 P8 O28\n1.0\n-7.284420 0.000000 0.000000\n2.309526 9.134421 0.000000\n-0.092359 -3.499607 -9.600113\nK Na Ni P O\n5 1 5 8 28\ndirect\n0.999831 0.550677 0.824702 K\n0.000977 0.454699 0.184496 K\n0.950050 0.802306 0.575044 K\n0.054251 0.188318 0.415370 K\n0.501865 0.996083 0.496165 K\n0.566205 0.627920 0.325561 Na\n0.001207 0.999667 0.998327 Ni\n0.639700 0.040606 0.128742 Ni\n0.363142 0.958647 0.877084 Ni\n0.503511 0.505757 0.001335 Ni\n0.422330 0.378218 0.682927 Ni\n0.751246 0.189407 0.874965 P\n0.250996 0.810249 0.123661 P\n0.151285 0.187250 0.778316 P\n0.853320 0.816550 0.217290 P\n0.338323 0.655740 0.607123 P\n0.649247 0.342801 0.402749 P\n0.638805 0.740218 0.827147 P\n0.361793 0.259850 0.165783 P\n0.564644 0.716657 0.670053 O\n0.432548 0.293508 0.326597 O\n0.931138 0.191438 0.767872 O\n0.076051 0.811790 0.229442 O\n0.337643 0.672943 0.465564 O\n0.610933 0.322247 0.545288 O\n0.267752 0.486214 0.606394 O\n0.748261 0.507248 0.410528 O\n0.272725 0.354834 0.856478 O\n0.740190 0.652693 0.129801 O\n0.237727 0.764380 0.711232 O\n0.747003 0.221883 0.311306 O\n0.825991 0.142202 0.991865 O\n0.178606 0.859481 0.006690 O\n0.159534 0.066217 0.846425 O\n0.849650 0.940616 0.149970 O\n0.214081 0.145795 0.628854 O\n0.801675 0.867292 0.367665 O\n0.583187 0.067606 0.780274 O\n0.421570 0.929019 0.217696 O\n0.730910 0.355392 0.924828 O\n0.271084 0.643642 0.070521 O\n0.541684 0.850254 0.933025 O\n0.463129 0.145332 0.067513 O\n0.852153 0.802989 0.835244 O\n0.148827 0.192393 0.160623 O\n0.581250 0.572665 0.834004 O\n0.411972 0.418310 0.147463 O\n",
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{
"id": "mp-547069",
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"structure_string": "Fe2 Bi2 O6\n1.0\n2.788383 -2.789911 0.000000\n2.788383 2.789911 0.000000\n0.000000 0.000000 7.892021\nFe Bi O\n2 2 6\ndirect\n0.497713 0.497713 0.250000 Fe\n0.502287 0.502287 0.750000 Fe\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.492218 0.996899 0.250000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.507782 0.003101 0.750000 O\n0.003101 0.507782 0.750000 O\n0.996899 0.492218 0.250000 O\n",
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{
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{
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{
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"created_at": "2022-09-04T14:43:39.485248Z",
"structure_string": "Ti3 V2 Cr1 P6 O24\n1.0\n7.448310 -4.320394 0.000000\n7.448310 4.320394 0.000000\n4.942264 0.000000 7.051039\nTi V Cr P O\n3 2 1 6 24\ndirect\n0.645622 0.645622 0.645622 Ti\n0.855448 0.855448 0.855448 Ti\n0.354635 0.354635 0.354635 Ti\n0.999593 0.999593 0.999593 V\n0.500758 0.500758 0.500758 V\n0.142727 0.142727 0.142727 Cr\n0.956377 0.249886 0.540859 P\n0.540859 0.956377 0.249886 P\n0.249886 0.540859 0.956377 P\n0.751080 0.455176 0.044822 P\n0.455176 0.044822 0.751080 P\n0.044822 0.751080 0.455176 P\n0.498348 0.117810 0.313313 O\n0.313313 0.498348 0.117810 O\n0.117810 0.313313 0.498348 O\n0.942951 0.087432 0.737279 O\n0.992967 0.190049 0.384096 O\n0.761727 0.413867 0.561433 O\n0.737279 0.942951 0.087432 O\n0.561433 0.761727 0.413867 O\n0.813184 0.616263 0.001601 O\n0.413867 0.561433 0.761727 O\n0.912830 0.260754 0.058380 O\n0.616263 0.001601 0.813184 O\n0.384096 0.992967 0.190049 O\n0.087432 0.737279 0.942951 O\n0.586815 0.441877 0.238668 O\n0.190049 0.384096 0.992967 O\n0.441877 0.238668 0.586815 O\n0.260754 0.058380 0.912830 O\n0.238668 0.586815 0.441877 O\n0.001601 0.813184 0.616263 O\n0.058380 0.912830 0.260754 O\n0.885225 0.686777 0.499383 O\n0.686777 0.499383 0.885225 O\n0.499383 0.885225 0.686777 O\n",
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"elements": [
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"chemical_system": "Cr-O-P-Ti-V",
"density": 3.173645219066694,
"density_atomic": 0.07933015270175066,
"volume": 453.79970634048146,
"volume_molar": 7.5912380789695675,
"formula_full": "Ti3 V2 Cr1 P6 O24",
"formula_reduced": "Ti3V2Cr(PO4)6",
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"energy": -305.73201778,
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"updated_at": "2021-11-28T01:36:13.896000Z",
"spacegroup": 146
},
{
"id": "mp-1225637",
"created_at": "2022-09-04T14:40:17.331384Z",
"structure_string": "Er4 Fe2 Sb2 O14\n1.0\n-3.577419 3.641462 5.073721\n3.577419 -3.641462 5.073721\n3.577419 3.641462 -5.073721\nEr Fe Sb O\n4 2 2 14\ndirect\n0.000000 0.000000 0.500000 Er\n0.000000 0.500000 0.000000 Er\n0.000000 0.000000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.123969 0.873969 0.250000 O\n0.876031 0.126031 0.750000 O\n0.416100 0.166100 0.250000 O\n0.836022 0.586022 0.250000 O\n0.413060 0.582678 0.248378 O\n0.834300 0.164682 0.251622 O\n0.413060 0.164682 0.830381 O\n0.834300 0.582678 0.669619 O\n0.583900 0.833900 0.750000 O\n0.163978 0.413978 0.750000 O\n0.586940 0.417322 0.751622 O\n0.165700 0.835318 0.748378 O\n0.586940 0.835318 0.169619 O\n0.165700 0.417322 0.330381 O\n",
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"elements": [
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],
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"density": 7.839966248908142,
"density_atomic": 0.08321287285846694,
"volume": 264.3821712227003,
"volume_molar": 7.237030225170558,
"formula_full": "Er4 Fe2 Sb2 O14",
"formula_reduced": "Er2FeSbO7",
"formula_anonymous": "ABC2D7",
"energy": -176.09365546,
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{
"id": "mp-774843",
"created_at": "2022-09-04T14:42:43.031980Z",
"structure_string": "Li4 V3 Co3 Sn2 O16\n1.0\n5.960326 0.000000 0.000000\n2.967937 5.179845 0.000000\n0.133203 0.092496 9.720092\nLi V Co Sn O\n4 3 3 2 16\ndirect\n0.336827 0.329101 0.897357 Li\n0.995366 0.002309 0.995548 Li\n0.996983 0.997974 0.492967 Li\n0.677571 0.667482 0.392316 Li\n0.827079 0.824096 0.720298 V\n0.657316 0.166246 0.218305 V\n0.818168 0.340354 0.712682 V\n0.172871 0.656134 0.214880 Co\n0.177108 0.164873 0.210270 Co\n0.339418 0.830723 0.710389 Co\n0.319565 0.347113 0.493017 Sn\n0.660350 0.666151 0.995299 Sn\n0.155796 0.683396 0.598857 O\n0.041422 0.491050 0.334173 O\n0.380746 0.307790 0.099918 O\n0.970027 0.019136 0.305941 O\n0.975882 0.999494 0.806813 O\n0.137793 0.180291 0.601524 O\n0.483053 0.484741 0.331287 O\n0.504887 0.039114 0.344527 O\n0.312634 0.832967 0.098559 O\n0.668782 0.170650 0.601502 O\n0.524466 0.961495 0.842755 O\n0.539494 0.493887 0.833749 O\n0.697694 0.666503 0.602839 O\n0.838144 0.837659 0.108659 O\n0.966971 0.515888 0.840667 O\n0.823585 0.323678 0.102740 O\n",
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"V",
"Co",
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],
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"density": 4.70780701247756,
"density_atomic": 0.09330413209138108,
"volume": 300.09389051041273,
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"formula_full": "Li4 V3 Co3 Sn2 O16",
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]
}