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{
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"results": [
{
"id": "mp-6259",
"created_at": "2022-09-04T14:45:25.809939Z",
"structure_string": "Sr1 Li2 Ta2 O7\n1.0\n-1.991326 1.991326 9.268297\n1.991326 -1.991326 9.268297\n1.991326 1.991326 -9.268297\nSr Li Ta O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.614074 0.614074 0.000000 Ta\n0.385926 0.385926 0.000000 Ta\n0.500000 0.500000 0.000000 O\n0.103733 0.603733 0.500000 O\n0.603733 0.103733 0.500000 O\n0.896267 0.396267 0.500000 O\n0.396267 0.896267 0.500000 O\n0.283670 0.283670 0.000000 O\n0.716330 0.716330 0.000000 O\n",
"nsites": 12,
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"elements": [
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],
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"volume_molar": 7.377586637277235,
"formula_full": "Sr1 Li2 Ta2 O7",
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"spacegroup": 139
},
{
"id": "mp-16691",
"created_at": "2022-09-04T14:46:29.829410Z",
"structure_string": "Sr4 Li8 Ti24 O56\n1.0\n5.642853 -8.367803 0.000000\n5.642853 8.367803 0.000000\n0.000000 0.000000 11.561442\nSr Li Ti O\n4 8 24 56\ndirect\n0.353360 0.353360 0.121059 Sr\n0.646640 0.646640 0.878941 Sr\n0.853360 0.853360 0.378941 Sr\n0.146640 0.146640 0.621059 Sr\n0.058557 0.430989 0.121671 Li\n0.441443 0.069011 0.621671 Li\n0.930989 0.558557 0.378329 Li\n0.569011 0.941443 0.878329 Li\n0.941443 0.569011 0.878329 Li\n0.558557 0.930989 0.378329 Li\n0.069011 0.441443 0.621671 Li\n0.430989 0.058557 0.121671 Li\n0.491005 0.275877 0.385052 Ti\n0.008995 0.224123 0.885052 Ti\n0.775877 0.991005 0.114948 Ti\n0.724123 0.508995 0.614948 Ti\n0.508995 0.724123 0.614948 Ti\n0.243032 0.743032 0.250000 Ti\n0.991005 0.775877 0.114948 Ti\n0.224123 0.008995 0.885052 Ti\n0.275877 0.491005 0.385052 Ti\n0.234991 0.017634 0.359559 Ti\n0.265009 0.482366 0.859559 Ti\n0.517634 0.734991 0.140441 Ti\n0.982366 0.765009 0.640441 Ti\n0.765009 0.982366 0.640441 Ti\n0.256968 0.756968 0.750000 Ti\n0.482366 0.265009 0.859559 Ti\n0.017634 0.234991 0.359559 Ti\n0.760593 0.239407 0.500000 Ti\n0.739407 0.260593 0.000000 Ti\n0.239407 0.760593 0.500000 Ti\n0.260593 0.739407 0.000000 Ti\n0.743031 0.243031 0.250000 Ti\n0.756968 0.256968 0.750000 Ti\n0.734991 0.517634 0.140441 Ti\n0.354961 0.139395 0.758923 O\n0.590112 0.590112 0.633775 O\n0.909888 0.909888 0.133775 O\n0.090112 0.090112 0.866225 O\n0.409888 0.409888 0.366225 O\n0.355407 0.139871 0.482843 O\n0.144593 0.360129 0.982843 O\n0.639871 0.855407 0.017157 O\n0.860129 0.644593 0.517157 O\n0.644593 0.860129 0.517157 O\n0.855407 0.639871 0.017157 O\n0.360129 0.144593 0.982843 O\n0.139871 0.355407 0.482843 O\n0.916390 0.916390 0.622865 O\n0.583610 0.583610 0.122865 O\n0.416390 0.416390 0.877135 O\n0.083610 0.083610 0.377135 O\n0.360605 0.145039 0.258923 O\n0.139395 0.354961 0.758923 O\n0.645039 0.860605 0.241077 O\n0.854961 0.639395 0.741077 O\n0.639395 0.854961 0.741077 O\n0.371164 0.628836 0.000000 O\n0.145039 0.360605 0.258923 O\n0.367368 0.632632 0.500000 O\n0.132632 0.867368 0.000000 O\n0.632632 0.367368 0.500000 O\n0.867368 0.132632 0.000000 O\n0.146065 0.620722 0.378232 O\n0.353935 0.879278 0.878232 O\n0.120722 0.646065 0.121768 O\n0.379278 0.853935 0.621768 O\n0.853935 0.379278 0.621768 O\n0.646065 0.120722 0.121768 O\n0.879278 0.353935 0.878232 O\n0.620722 0.146065 0.378232 O\n0.363378 0.627868 0.250000 O\n0.136622 0.872132 0.750000 O\n0.127868 0.863378 0.250000 O\n0.372132 0.636622 0.750000 O\n0.636622 0.372132 0.750000 O\n0.863378 0.127868 0.250000 O\n0.872132 0.136622 0.750000 O\n0.627868 0.363378 0.250000 O\n0.880463 0.348107 0.371861 O\n0.619537 0.151893 0.871861 O\n0.848107 0.380463 0.128139 O\n0.651893 0.119537 0.628139 O\n0.119537 0.651893 0.628139 O\n0.380463 0.848107 0.128139 O\n0.151893 0.619537 0.871861 O\n0.348107 0.880463 0.371861 O\n0.871164 0.128836 0.500000 O\n0.628836 0.371164 0.000000 O\n0.128836 0.871164 0.500000 O\n0.860605 0.645039 0.241077 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
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"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Sr-Ti",
"density": 3.7273627941612038,
"density_atomic": 0.0842627527615677,
"volume": 1091.8228634225354,
"volume_molar": 7.1468597483877865,
"formula_full": "Sr4 Li8 Ti24 O56",
"formula_reduced": "SrLi2Ti6O14",
"formula_anonymous": "AB2C6D14",
"energy": -801.0573463499999,
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"energy_uncorrected": -762.58534635,
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"total_magnetization": 8.09e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.202000Z",
"spacegroup": 64
},
{
"id": "mp-1095765",
"created_at": "2022-09-04T14:45:17.571688Z",
"structure_string": "Sr1 Li2 Tl1\n1.0\n-6.350709 6.527558 8.953587\n6.350709 -6.527558 8.953587\n6.350709 6.527558 -8.953587\nSr Li Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.277853 0.000000 0.277853 Li\n0.722147 0.000000 0.722147 Li\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"Li",
"Tl"
],
"chemical_system": "Li-Sr-Tl",
"density": 0.3421194004114633,
"density_atomic": 0.002694200978885388,
"volume": 1484.6702348296344,
"volume_molar": 223.52232840815785,
"formula_full": "Sr1 Li2 Tl1",
"formula_reduced": "SrLi2Tl",
"formula_anonymous": "ABC2",
"energy": -3.59821952,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.118000Z",
"spacegroup": 71
},
{
"id": "mp-1173184",
"created_at": "2022-09-04T14:47:07.951908Z",
"structure_string": "Sr2 Li6 La22 Co6 O48\n1.0\n10.154052 0.000000 3.384684\n5.823813 4.792884 -0.548018\n-1.548507 1.361846 21.568941\nSr Li La Co O\n2 6 22 6 48\ndirect\n0.052157 0.636365 0.759323 Sr\n0.947843 0.363635 0.240677 Sr\n0.085289 0.496469 0.331058 Li\n0.249681 0.500000 0.000000 Li\n0.412817 0.503531 0.668942 Li\n0.587183 0.496469 0.331058 Li\n0.750319 0.500000 0.000000 Li\n0.914711 0.503531 0.668942 Li\n0.219487 0.139251 0.425501 La\n0.383141 0.140565 0.092606 La\n0.053973 0.138691 0.758101 La\n0.451974 0.355888 0.240162 La\n0.222683 0.630916 0.423717 La\n0.382338 0.643971 0.091353 La\n0.279320 0.363327 0.578035 La\n0.113909 0.363673 0.908510 La\n0.883688 0.140565 0.092606 La\n0.450764 0.861309 0.241899 La\n0.715759 0.139251 0.425501 La\n0.284241 0.860749 0.574499 La\n0.549236 0.138691 0.758101 La\n0.116312 0.859435 0.907394 La\n0.886091 0.636327 0.091490 La\n0.777317 0.369084 0.576283 La\n0.548026 0.644112 0.759838 La\n0.720680 0.636673 0.421965 La\n0.617662 0.356029 0.908647 La\n0.780513 0.860749 0.574499 La\n0.946027 0.861309 0.241899 La\n0.616859 0.859435 0.907394 La\n0.251193 0.998310 0.999304 Co\n0.083518 0.999228 0.333736 Co\n0.582619 0.001135 0.333627 Co\n0.748807 0.001690 0.000696 Co\n0.417381 0.998865 0.666373 Co\n0.916482 0.000772 0.666264 Co\n0.005908 0.244134 0.998856 O\n0.109542 0.165823 0.115094 O\n0.251103 0.244134 0.998856 O\n0.083999 0.242255 0.335398 O\n0.243276 0.319759 0.212298 O\n0.101301 0.680246 0.121398 O\n0.063257 0.320243 0.545797 O\n0.255283 0.748509 0.998740 O\n0.502532 0.251491 0.001260 O\n0.084403 0.755505 0.334407 O\n0.336150 0.249951 0.334650 O\n0.175046 0.238359 0.664349 O\n0.600504 0.180157 0.118837 O\n0.221040 0.831629 0.226291 O\n0.273497 0.166418 0.786588 O\n0.428301 0.188416 0.454982 O\n0.050069 0.842163 0.557699 O\n0.744717 0.251491 0.001260 O\n0.497468 0.748509 0.998740 O\n0.422248 0.238359 0.664349 O\n0.579248 0.249951 0.334650 O\n0.161654 0.757745 0.664602 O\n0.325685 0.755505 0.334407 O\n0.275332 0.680241 0.787702 O\n0.724668 0.319759 0.212298 O\n0.570703 0.320243 0.545797 O\n0.597056 0.680246 0.121398 O\n0.402944 0.319754 0.878602 O\n0.429297 0.679757 0.454203 O\n0.838346 0.242255 0.335398 O\n0.420752 0.750049 0.665350 O\n0.577752 0.761641 0.335651 O\n0.748897 0.755866 0.001144 O\n0.674315 0.244495 0.665593 O\n0.778960 0.168371 0.773709 O\n0.949931 0.157837 0.442301 O\n0.399496 0.819843 0.881163 O\n0.571699 0.811584 0.545018 O\n0.726503 0.833582 0.213412 O\n0.915597 0.244495 0.665593 O\n0.663850 0.750049 0.665350 O\n0.824954 0.761641 0.335651 O\n0.994092 0.755866 0.001144 O\n0.756724 0.680241 0.787702 O\n0.898699 0.319754 0.878602 O\n0.936743 0.679757 0.454203 O\n0.916001 0.757745 0.664602 O\n0.890458 0.834177 0.884906 O\n",
"nsites": 84,
"nelements": 5,
"elements": [
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"La",
"Co",
"O"
],
"chemical_system": "Co-La-Li-O-Sr",
"density": 6.578391965024387,
"density_atomic": 0.07572733111740221,
"volume": 1109.2428421882773,
"volume_molar": 7.952400634143182,
"formula_full": "Sr2 Li6 La22 Co6 O48",
"formula_reduced": "SrLi3La11(CoO8)3",
"formula_anonymous": "AB3C3D11E24",
"energy": -669.2613636,
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"updated_at": "2021-11-28T01:37:57.227000Z",
"spacegroup": 12
},
{
"id": "mp-570931",
"created_at": "2022-09-04T14:45:23.216614Z",
"structure_string": "Sr2 Li6 Mn2 N6\n1.0\n6.605719 -2.934602 0.000000\n6.605719 2.934602 0.000000\n5.302017 0.000000 4.912843\nSr Li Mn N\n2 6 2 6\ndirect\n0.337564 0.337564 0.337564 Sr\n0.662436 0.662436 0.662436 Sr\n0.476669 0.236037 0.895338 Li\n0.895338 0.476669 0.236037 Li\n0.763963 0.104662 0.523331 Li\n0.236037 0.895338 0.476669 Li\n0.104662 0.523331 0.763963 Li\n0.523331 0.763963 0.104662 Li\n0.066983 0.066983 0.066983 Mn\n0.933017 0.933017 0.933017 Mn\n0.620096 0.905086 0.205386 N\n0.794614 0.379904 0.094914 N\n0.379904 0.094914 0.794614 N\n0.094914 0.794614 0.379904 N\n0.205386 0.620096 0.905086 N\n0.905086 0.205386 0.620096 N\n",
"nsites": 16,
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"elements": [
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"Mn",
"N"
],
"chemical_system": "Li-Mn-N-Sr",
"density": 3.581374751874001,
"density_atomic": 0.08400164615459602,
"volume": 190.47245777247886,
"volume_molar": 7.169074697556399,
"formula_full": "Sr2 Li6 Mn2 N6",
"formula_reduced": "SrLi3MnN3",
"formula_anonymous": "ABC3D3",
"energy": -95.23787827,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:07.089000Z",
"spacegroup": 148
},
{
"id": "mp-555089",
"created_at": "2022-09-04T14:40:31.341826Z",
"structure_string": "Sr4 Li16 Ca4 Si8 O32\n1.0\n5.034928 0.000000 0.000000\n0.000000 10.039382 0.000000\n0.000000 0.000000 14.229970\nSr Li Ca Si O\n4 16 4 8 32\ndirect\n0.055407 0.268266 0.250000 Sr\n0.944593 0.731734 0.750000 Sr\n0.055407 0.231734 0.750000 Sr\n0.944593 0.768266 0.250000 Sr\n0.517460 0.224602 0.872281 Li\n0.958833 0.996744 0.627590 Li\n0.041167 0.003256 0.127590 Li\n0.482540 0.724602 0.872281 Li\n0.041167 0.003256 0.372410 Li\n0.517460 0.275398 0.127719 Li\n0.958833 0.503256 0.372410 Li\n0.958833 0.996744 0.872410 Li\n0.517460 0.224602 0.627719 Li\n0.958833 0.503256 0.127590 Li\n0.482540 0.724602 0.627719 Li\n0.041167 0.496744 0.872410 Li\n0.517460 0.275398 0.372281 Li\n0.482540 0.775398 0.372281 Li\n0.482540 0.775398 0.127719 Li\n0.041167 0.496744 0.627590 Li\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.474059 0.975767 0.750000 Si\n0.525941 0.475767 0.750000 Si\n0.474059 0.524233 0.250000 Si\n0.525941 0.024233 0.250000 Si\n0.982599 0.750000 0.000000 Si\n0.017401 0.250000 0.500000 Si\n0.982599 0.750000 0.500000 Si\n0.017401 0.250000 0.000000 Si\n0.665257 0.545053 0.655575 O\n0.581495 0.312376 0.750000 O\n0.210463 0.335165 0.572849 O\n0.210463 0.164835 0.072849 O\n0.334743 0.045053 0.655575 O\n0.334743 0.454947 0.344425 O\n0.665257 0.954947 0.155575 O\n0.789537 0.835165 0.572849 O\n0.178586 0.650369 0.560904 O\n0.797473 0.499919 0.250000 O\n0.797473 0.000081 0.750000 O\n0.821414 0.150369 0.560904 O\n0.178586 0.849631 0.060904 O\n0.665257 0.545053 0.844425 O\n0.581495 0.187624 0.250000 O\n0.665257 0.954947 0.344425 O\n0.178586 0.849631 0.439096 O\n0.202527 0.500081 0.750000 O\n0.821414 0.349631 0.060904 O\n0.821414 0.150369 0.939096 O\n0.202527 0.999919 0.250000 O\n0.178586 0.650369 0.939096 O\n0.210463 0.164835 0.427151 O\n0.789537 0.835165 0.927151 O\n0.334743 0.045053 0.844425 O\n0.334743 0.454947 0.155575 O\n0.418505 0.687624 0.250000 O\n0.210463 0.335165 0.927151 O\n0.418505 0.812376 0.750000 O\n0.789537 0.664835 0.427151 O\n0.789537 0.664835 0.072849 O\n0.821414 0.349631 0.439096 O\n",
"nsites": 64,
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"elements": [
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"O"
],
"chemical_system": "Ca-Li-O-Si-Sr",
"density": 3.1362350470821267,
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"volume": 719.2903411289119,
"volume_molar": 6.768230752479257,
"formula_full": "Sr4 Li16 Ca4 Si8 O32",
"formula_reduced": "SrLi4Ca(SiO4)2",
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"energy": -442.13584493,
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"updated_at": "2021-11-28T01:35:04.094000Z",
"spacegroup": 57
},
{
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