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{
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"results": [
{
"id": "mp-1027993",
"created_at": "2022-09-04T14:47:31.123440Z",
"structure_string": "Mg14 Zr1 Zn1\n1.0\n6.402701 0.091054 0.000000\n-3.122496 5.408321 0.000000\n0.000000 0.000000 10.109318\nMg Zr Zn\n14 1 1\ndirect\n0.165197 0.332598 0.625000 Mg\n0.167649 0.833824 0.625000 Mg\n0.654616 0.333943 0.125000 Mg\n0.665236 0.330555 0.625000 Mg\n0.654616 0.820673 0.125000 Mg\n0.665236 0.834680 0.625000 Mg\n0.331158 0.164974 0.369216 Mg\n0.331158 0.164974 0.880784 Mg\n0.331158 0.666185 0.369216 Mg\n0.331158 0.666185 0.880784 Mg\n0.842480 0.171241 0.362231 Mg\n0.842480 0.171241 0.887769 Mg\n0.840225 0.670113 0.376955 Mg\n0.840225 0.670113 0.873045 Mg\n0.153923 0.826961 0.125000 Zr\n0.183483 0.341741 0.125000 Zn\n",
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},
{
"id": "mp-1246807",
"created_at": "2022-09-04T14:47:31.189669Z",
"structure_string": "Sr8 Mn4 N8\n1.0\n6.346713 0.018621 0.000000\n10.344778 4.947779 0.000000\n0.000000 0.000000 12.318646\nSr Mn N\n8 4 8\ndirect\n0.000000 0.444582 0.860649 Sr\n0.000000 0.555418 0.139351 Sr\n0.000000 0.055418 0.360649 Sr\n0.000000 0.944582 0.639351 Sr\n0.000000 0.140485 0.928026 Sr\n0.000000 0.859515 0.071974 Sr\n0.000000 0.359515 0.428026 Sr\n0.000000 0.640485 0.571974 Sr\n0.000000 0.264610 0.666022 Mn\n0.000000 0.735390 0.333978 Mn\n0.000000 0.235390 0.166022 Mn\n0.000000 0.764610 0.833978 Mn\n0.000000 0.416284 0.635977 N\n0.000000 0.583716 0.364023 N\n0.000000 0.083716 0.135977 N\n0.000000 0.916284 0.864023 N\n0.000000 0.154851 0.565759 N\n0.000000 0.845149 0.434241 N\n0.000000 0.345149 0.065759 N\n0.000000 0.654851 0.934241 N\n",
"nsites": 20,
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"elements": [
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"volume": 384.45882162472213,
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"formula_full": "Sr8 Mn4 N8",
"formula_reduced": "Sr2MnN2",
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},
{
"id": "mp-1029474",
"created_at": "2022-09-04T14:47:31.351193Z",
"structure_string": "Ca28 Si4 N24\n1.0\n6.175974 0.000000 0.000000\n0.000000 10.816288 0.000000\n0.000000 0.000000 12.996187\nCa Si N\n28 4 24\ndirect\n0.735323 0.038444 0.979738 Ca\n0.764677 0.461556 0.479738 Ca\n0.764677 0.538444 0.020262 Ca\n0.735323 0.961556 0.520262 Ca\n0.264677 0.961556 0.020262 Ca\n0.235323 0.538444 0.520262 Ca\n0.235323 0.461556 0.979738 Ca\n0.264677 0.038444 0.479738 Ca\n0.856098 0.225562 0.625342 Ca\n0.643902 0.274438 0.125342 Ca\n0.643902 0.725562 0.374658 Ca\n0.856098 0.774438 0.874658 Ca\n0.143902 0.774438 0.374658 Ca\n0.356098 0.725562 0.874658 Ca\n0.356098 0.274438 0.625342 Ca\n0.143902 0.225562 0.125342 Ca\n0.611718 0.294297 0.878495 Ca\n0.888282 0.205703 0.378495 Ca\n0.888282 0.794297 0.121505 Ca\n0.611718 0.705703 0.621505 Ca\n0.388282 0.705703 0.121505 Ca\n0.111718 0.794297 0.621505 Ca\n0.111718 0.205703 0.878495 Ca\n0.388282 0.294297 0.378495 Ca\n0.443055 0.000000 0.750000 Ca\n0.056945 0.500000 0.250000 Ca\n0.556945 0.000000 0.250000 Ca\n0.943055 0.500000 0.750000 Ca\n0.932911 0.000000 0.750000 Si\n0.567089 0.500000 0.250000 Si\n0.067089 0.000000 0.250000 Si\n0.432911 0.500000 0.750000 Si\n0.763532 0.126114 0.790905 N\n0.736468 0.373886 0.290905 N\n0.736468 0.626114 0.209095 N\n0.763532 0.873886 0.709095 N\n0.236468 0.873886 0.209095 N\n0.263532 0.626114 0.709095 N\n0.263532 0.373886 0.790905 N\n0.236468 0.126114 0.290905 N\n0.592198 0.166554 0.503273 N\n0.907802 0.333446 0.003273 N\n0.907802 0.666554 0.496727 N\n0.592198 0.833446 0.996727 N\n0.407802 0.833446 0.496727 N\n0.092198 0.666554 0.996727 N\n0.092198 0.333446 0.503273 N\n0.407802 0.166554 0.003273 N\n0.600200 0.454611 0.644947 N\n0.899800 0.045389 0.144947 N\n0.899800 0.954611 0.355053 N\n0.600200 0.545389 0.855053 N\n0.399800 0.545389 0.355053 N\n0.100200 0.954611 0.855053 N\n0.100200 0.045389 0.644947 N\n0.399800 0.454611 0.144947 N\n",
"nsites": 56,
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"elements": [
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],
"chemical_system": "Ca-N-Si",
"density": 3.004270533805523,
"density_atomic": 0.06450425650417187,
"volume": 868.1597623930159,
"volume_molar": 9.336036234462313,
"formula_full": "Ca28 Si4 N24",
"formula_reduced": "Ca7SiN6",
"formula_anonymous": "AB6C7",
"energy": -340.9292539,
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"spacegroup": 60
},
{
"id": "mp-1225871",
"created_at": "2022-09-04T14:47:31.630325Z",
"structure_string": "Cu8 Ge4 S12\n1.0\n0.000000 5.313890 11.258261\n3.751415 0.000000 11.258261\n3.751415 5.313890 0.000000\nCu Ge S\n8 4 12\ndirect\n0.586760 0.247539 0.241968 Cu\n0.921029 0.578971 0.921029 Cu\n0.241968 0.923732 0.586760 Cu\n0.002461 0.663240 0.326268 Cu\n0.326268 0.008032 0.002461 Cu\n0.671029 0.328971 0.671029 Cu\n0.415956 0.084044 0.415956 Cu\n0.165956 0.834044 0.165956 Cu\n0.761872 0.400675 0.071126 Ge\n0.071126 0.766327 0.761872 Ge\n0.483673 0.178874 0.849325 Ge\n0.849325 0.488128 0.483673 Ge\n0.705063 0.630225 0.873273 S\n0.043798 0.953426 0.540736 S\n0.376939 0.290019 0.211473 S\n0.211473 0.121569 0.376939 S\n0.540736 0.462040 0.043798 S\n0.873273 0.791440 0.705063 S\n0.296574 0.206202 0.787960 S\n0.619775 0.544937 0.458560 S\n0.959981 0.873061 0.128431 S\n0.458560 0.376727 0.619775 S\n0.787960 0.709264 0.296574 S\n0.128431 0.038527 0.959981 S\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cu-Ge-S",
"density": 4.379098371305698,
"density_atomic": 0.05346902473178135,
"volume": 448.8580092940182,
"volume_molar": 11.262858805091524,
"formula_full": "Cu8 Ge4 S12",
"formula_reduced": "Cu2GeS3",
"formula_anonymous": "AB2C3",
"energy": -114.55266804,
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"spacegroup": 43
},
{
"id": "mp-17652",
"created_at": "2022-09-04T14:47:30.882725Z",
"structure_string": "Tb24 Al12 Si4\n1.0\n-5.812466 5.812466 7.667434\n5.812466 -5.812466 7.667434\n5.812466 5.812466 -7.667434\nTb Al Si\n24 12 4\ndirect\n0.330067 0.070134 0.131776 Tb\n0.561642 0.429866 0.259933 Tb\n0.198291 0.330067 0.259933 Tb\n0.070134 0.938358 0.740067 Tb\n0.668933 0.831067 0.500000 Tb\n0.831067 0.331067 0.162134 Tb\n0.168933 0.668933 0.837866 Tb\n0.331067 0.168933 0.500000 Tb\n0.938358 0.198291 0.868224 Tb\n0.429866 0.169933 0.868224 Tb\n0.301709 0.561642 0.131776 Tb\n0.169933 0.301709 0.740067 Tb\n0.929866 0.061642 0.259933 Tb\n0.801709 0.669933 0.740067 Tb\n0.438358 0.570134 0.740067 Tb\n0.669933 0.929866 0.868224 Tb\n0.061642 0.801709 0.131776 Tb\n0.570134 0.830067 0.131776 Tb\n0.698291 0.438358 0.868224 Tb\n0.830067 0.698291 0.259933 Tb\n0.148445 0.648445 0.500000 Tb\n0.648445 0.148445 0.500000 Tb\n0.351555 0.851555 0.500000 Tb\n0.851555 0.351555 0.500000 Tb\n0.119595 0.380405 0.500000 Al\n0.380405 0.880405 0.260810 Al\n0.619595 0.119595 0.739190 Al\n0.880405 0.619595 0.500000 Al\n0.117252 0.973613 0.500000 Al\n0.473613 0.617252 0.500000 Al\n0.526387 0.382748 0.500000 Al\n0.617252 0.117252 0.143639 Al\n0.973613 0.473613 0.856361 Al\n0.382748 0.882748 0.856361 Al\n0.026387 0.526387 0.143639 Al\n0.882748 0.026387 0.500000 Al\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.750000 0.750000 0.000000 Si\n0.250000 0.250000 0.000000 Si\n",
"nsites": 40,
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"elements": [
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"volume": 1036.1697007285502,
"volume_molar": 15.59989947258601,
"formula_full": "Tb24 Al12 Si4",
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"spacegroup": 140
},
{
"id": "mp-862606",
"created_at": "2022-09-04T14:47:30.916714Z",
"structure_string": "Eu1 Sn1 O3\n1.0\n4.124797 0.000000 0.000000\n0.000000 4.124797 0.000000\n0.000000 0.000000 4.124797\nEu Sn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Eu1 Sn1 O3",
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"spacegroup": 221
},
{
"id": "mp-756742",
"created_at": "2022-09-04T14:47:31.133601Z",
"structure_string": "Lu6 Al2 O12\n1.0\n4.374967 -4.531363 0.000000\n4.374967 4.531363 0.000000\n-0.318382 0.000000 6.290646\nLu Al O\n6 2 12\ndirect\n0.746398 0.930452 0.437533 Lu\n0.069548 0.562467 0.253602 Lu\n0.562467 0.253602 0.069548 Lu\n0.437533 0.746398 0.930452 Lu\n0.930452 0.437533 0.746398 Lu\n0.253602 0.069548 0.562467 Lu\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.703724 0.929838 0.076167 O\n0.070162 0.923833 0.296276 O\n0.414607 0.541944 0.204906 O\n0.923833 0.296276 0.070162 O\n0.458056 0.795094 0.585393 O\n0.795094 0.585393 0.458056 O\n0.204906 0.414607 0.541944 O\n0.541944 0.204906 0.414607 O\n0.076167 0.703724 0.929838 O\n0.585393 0.458056 0.795094 O\n0.929838 0.076167 0.703724 O\n0.296276 0.070162 0.923833 O\n",
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"volume": 249.41862329862244,
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"formula_full": "Lu6 Al2 O12",
"formula_reduced": "Lu3AlO6",
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{
"id": "mp-541108",
"created_at": "2022-09-04T14:47:31.189523Z",
"structure_string": "Cd4 Si2 P8 O28\n1.0\n2.630524 8.745107 0.000000\n-2.630524 8.745107 0.000000\n0.000000 2.911760 12.350619\nCd Si P O\n4 2 8 28\ndirect\n0.400225 0.088971 0.368170 Cd\n0.911029 0.599775 0.131830 Cd\n0.599775 0.911029 0.631830 Cd\n0.088971 0.400225 0.868170 Cd\n0.138975 0.861025 0.750000 Si\n0.861025 0.138975 0.250000 Si\n0.958117 0.303812 0.585821 P\n0.696188 0.041883 0.914179 P\n0.041883 0.696188 0.414179 P\n0.303812 0.958117 0.085821 P\n0.764740 0.471254 0.370471 P\n0.528746 0.235260 0.129529 P\n0.235260 0.528746 0.629529 P\n0.471254 0.764740 0.870471 P\n0.021882 0.103598 0.670439 O\n0.896402 0.978118 0.829561 O\n0.978118 0.896402 0.329561 O\n0.103598 0.021882 0.170439 O\n0.876832 0.300504 0.485786 O\n0.699496 0.123168 0.014214 O\n0.123168 0.699496 0.514214 O\n0.300504 0.876832 0.985786 O\n0.720974 0.362693 0.324313 O\n0.637307 0.279026 0.175687 O\n0.279026 0.637307 0.675687 O\n0.362693 0.720974 0.824313 O\n0.722207 0.573363 0.629619 O\n0.426637 0.277793 0.870381 O\n0.277793 0.426637 0.370381 O\n0.573363 0.722207 0.129619 O\n0.210402 0.187122 0.549133 O\n0.812878 0.789598 0.950867 O\n0.789598 0.812878 0.450867 O\n0.187122 0.210402 0.049133 O\n0.986743 0.385888 0.303032 O\n0.614112 0.013257 0.196968 O\n0.013257 0.614112 0.696968 O\n0.385888 0.986743 0.803032 O\n0.501310 0.762564 0.384883 O\n0.237436 0.498690 0.115117 O\n0.498690 0.237436 0.615117 O\n0.762564 0.501310 0.884883 O\n",
"nsites": 42,
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"elements": [
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"formula_full": "Cd4 Si2 P8 O28",
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{
"id": "mp-1178456",
"created_at": "2022-09-04T14:47:31.359035Z",
"structure_string": "Co4 O6 F2\n1.0\n-0.178985 4.481934 -2.993657\n-4.481576 0.179567 -2.993016\n-4.479826 0.176900 2.990742\nCo O F\n4 6 2\ndirect\n0.464768 0.252730 0.212039 Co\n0.535201 0.747268 0.787933 Co\n0.999995 0.500016 0.499979 Co\n0.000007 0.999994 0.000013 Co\n0.822891 0.747640 0.075312 O\n0.177117 0.252356 0.924701 O\n0.298700 0.201306 0.500026 O\n0.303622 0.696339 0.999962 O\n0.701302 0.798681 0.499990 O\n0.696380 0.303665 0.000036 O\n0.783923 0.253710 0.530192 F\n0.216093 0.746295 0.469818 F\n",
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"density": 5.118706570259111,
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"formula_full": "Co4 O6 F2",
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"energy": -77.49147318,
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