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{
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{
"id": "mp-962059",
"created_at": "2022-09-04T14:40:08.989173Z",
"structure_string": "Sr1 Mg1 Si1\n1.0\n0.000000 3.611193 3.611193\n3.611193 0.000000 3.611193\n3.611193 3.611193 0.000000\nSr Mg Si\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Si\n",
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"chemical_system": "Mg-Si-Sr",
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"volume": 94.18507660276921,
"volume_molar": 18.906526293108627,
"formula_full": "Sr1 Mg1 Si1",
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"formula_anonymous": "ABC",
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{
"id": "mp-15642",
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"structure_string": "Sr4 Mg4 Si4\n1.0\n4.596335 0.000000 0.000000\n0.000000 7.822788 0.000000\n0.000000 0.000000 8.530591\nSr Mg Si\n4 4 4\ndirect\n0.250000 0.014974 0.183462 Sr\n0.250000 0.514974 0.316538 Sr\n0.750000 0.485026 0.683462 Sr\n0.750000 0.985026 0.816538 Sr\n0.750000 0.356875 0.063746 Mg\n0.250000 0.643125 0.936254 Mg\n0.750000 0.856875 0.436254 Mg\n0.250000 0.143125 0.563746 Mg\n0.750000 0.218745 0.390490 Si\n0.250000 0.281255 0.890490 Si\n0.250000 0.781255 0.609510 Si\n0.750000 0.718745 0.109510 Si\n",
"nsites": 12,
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"elements": [
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"density": 3.0319172219731576,
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"volume": 306.72724611247,
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"formula_full": "Sr4 Mg4 Si4",
"formula_reduced": "SrMgSi",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:44.191000Z",
"spacegroup": 62
},
{
"id": "mp-29002",
"created_at": "2022-09-04T14:44:05.409448Z",
"structure_string": "Sr8 Mg8 Si16\n1.0\n4.438171 0.000000 0.000000\n0.000000 11.449600 0.000000\n0.000000 0.000000 14.413278\nSr Mg Si\n8 8 16\ndirect\n0.250000 0.523264 0.196139 Sr\n0.250000 0.741034 0.938442 Sr\n0.750000 0.258966 0.061558 Sr\n0.750000 0.241034 0.561558 Sr\n0.250000 0.758966 0.438442 Sr\n0.250000 0.976736 0.696139 Sr\n0.750000 0.023264 0.303861 Sr\n0.750000 0.476736 0.803861 Sr\n0.250000 0.442036 0.439921 Mg\n0.750000 0.557964 0.560079 Mg\n0.750000 0.942036 0.060079 Mg\n0.250000 0.057964 0.939921 Mg\n0.250000 0.679962 0.690103 Mg\n0.750000 0.320038 0.309897 Mg\n0.750000 0.179962 0.809897 Mg\n0.250000 0.820038 0.190103 Mg\n0.750000 0.952217 0.867733 Si\n0.250000 0.452217 0.632267 Si\n0.750000 0.547783 0.367733 Si\n0.250000 0.027900 0.466770 Si\n0.250000 0.047783 0.132267 Si\n0.250000 0.274191 0.722909 Si\n0.750000 0.725809 0.277091 Si\n0.750000 0.774191 0.777091 Si\n0.250000 0.211680 0.393326 Si\n0.750000 0.972100 0.533230 Si\n0.750000 0.527900 0.033230 Si\n0.250000 0.472100 0.966770 Si\n0.250000 0.288320 0.893326 Si\n0.750000 0.788320 0.606674 Si\n0.750000 0.711680 0.106674 Si\n0.250000 0.225809 0.222909 Si\n",
"nsites": 32,
"nelements": 3,
"elements": [
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"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 3.04887314114432,
"density_atomic": 0.04369108895321607,
"volume": 732.4147959384862,
"volume_molar": 13.78345311202575,
"formula_full": "Sr8 Mg8 Si16",
"formula_reduced": "SrMgSi2",
"formula_anonymous": "ABC2",
"energy": -123.20872958,
"energy_per_atom": -3.850272799375,
"energy_above_hull": null,
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"energy_uncorrected": -124.34472958,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:31.485000Z",
"spacegroup": 62
},
{
"id": "mp-962075",
"created_at": "2022-09-04T14:46:21.727119Z",
"structure_string": "Sr1 Mg1 Sn1\n1.0\n0.000000 3.806168 3.806168\n3.806168 0.000000 3.806168\n3.806168 3.806168 0.000000\nSr Mg Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-Sn-Sr",
"density": 3.4728054561303288,
"density_atomic": 0.027203663749396468,
"volume": 110.27926339762074,
"volume_molar": 22.137241569652932,
"formula_full": "Sr1 Mg1 Sn1",
"formula_reduced": "SrMgSn",
"formula_anonymous": "ABC",
"energy": -6.869020279999999,
"energy_per_atom": -2.2896734266666665,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -6.869020279999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0508656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.611000Z",
"spacegroup": 216
},
{
"id": "mp-30780",
"created_at": "2022-09-04T14:40:32.816395Z",
"structure_string": "Sr4 Mg4 Sn4\n1.0\n4.902729 0.000000 0.000000\n0.000000 8.235271 0.000000\n0.000000 0.000000 8.941866\nSr Mg Sn\n4 4 4\ndirect\n0.750000 0.988737 0.811786 Sr\n0.250000 0.511263 0.311786 Sr\n0.250000 0.011263 0.188214 Sr\n0.750000 0.488737 0.688214 Sr\n0.750000 0.353557 0.066910 Mg\n0.250000 0.646443 0.933090 Mg\n0.750000 0.853557 0.433090 Mg\n0.250000 0.146443 0.566910 Mg\n0.250000 0.777497 0.608365 Sn\n0.250000 0.277497 0.891635 Sn\n0.750000 0.722503 0.108365 Sn\n0.750000 0.222503 0.391635 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn-Sr",
"density": 4.243169321365696,
"density_atomic": 0.03323818535427206,
"volume": 361.0305397872046,
"volume_molar": 18.11813941047772,
"formula_full": "Sr4 Mg4 Sn4",
"formula_reduced": "SrMgSn",
"formula_anonymous": "ABC",
"energy": -35.95294027,
"energy_per_atom": -2.9960783558333333,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -35.95294027,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:58.458000Z",
"spacegroup": 62
},
{
"id": "mp-1046151",
"created_at": "2022-09-04T14:42:59.584223Z",
"structure_string": "Sr2 Mg2 Sn2 P4 O16\n1.0\n5.611404 0.000000 0.000000\n-0.851241 7.102741 0.000000\n-2.567236 -3.351173 9.127332\nSr Mg Sn P O\n2 2 2 4 16\ndirect\n0.801649 0.248893 0.037529 Sr\n0.198351 0.751107 0.962471 Sr\n0.620977 0.278301 0.638422 Mg\n0.379023 0.721699 0.361578 Mg\n0.964109 0.752861 0.583463 Sn\n0.035891 0.247139 0.416537 Sn\n0.845843 0.799954 0.213459 P\n0.154157 0.200046 0.786541 P\n0.463824 0.267243 0.281606 P\n0.536176 0.732757 0.718394 P\n0.120175 0.358789 0.918161 O\n0.582001 0.750887 0.232168 O\n0.121005 0.987181 0.802837 O\n0.720579 0.581196 0.699377 O\n0.417999 0.249113 0.767832 O\n0.510871 0.810933 0.585606 O\n0.489129 0.189067 0.414394 O\n0.643718 0.894409 0.868171 O\n0.878995 0.012819 0.197163 O\n0.356282 0.105591 0.131829 O\n0.879825 0.641211 0.081839 O\n0.065523 0.824776 0.354009 O\n0.934477 0.175224 0.645991 O\n0.730116 0.382717 0.298024 O\n0.279421 0.418804 0.300623 O\n0.269884 0.617283 0.701976 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Mg",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr",
"density": 3.8395824304243154,
"density_atomic": 0.07147134978246591,
"volume": 363.78213198904194,
"volume_molar": 8.425950787734267,
"formula_full": "Sr2 Mg2 Sn2 P4 O16",
"formula_reduced": "SrMgSn(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -188.82849566,
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"energy_above_hull": null,
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"energy_uncorrected": -177.83649566,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.269000Z",
"spacegroup": 2
},
{
"id": "mp-1520140",
"created_at": "2022-09-04T14:42:59.288517Z",
"structure_string": "Sr1 Mg1 Sn1 W1 O6\n1.0\n-0.000000 -4.012705 -4.012705\n4.012705 -0.000000 -4.012705\n4.012705 -4.012705 -0.000000\nSr Mg Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 -0.000000 Mg\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.742649 0.257351 0.257351 O\n0.257351 0.742649 0.742649 O\n0.742649 0.257351 0.742649 O\n0.257351 0.742649 0.257351 O\n0.742649 0.742649 0.257351 O\n0.257351 0.257351 0.742649 O\n",
"nsites": 10,
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"elements": [
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"Mg",
"Sn",
"W",
"O"
],
"chemical_system": "Mg-O-Sn-Sr-W",
"density": 6.559622057141325,
"density_atomic": 0.07738527050517854,
"volume": 129.22355811020665,
"volume_molar": 7.782024564477041,
"formula_full": "Sr1 Mg1 Sn1 W1 O6",
"formula_reduced": "SrMgSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -75.00106187,
"energy_per_atom": -7.500106187,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:57.485000Z",
"spacegroup": 216
},
{
"id": "mp-1046096",
"created_at": "2022-09-04T14:45:19.982602Z",
"structure_string": "Sr2 Mg2 Ti2 P4 O16\n1.0\n5.608089 0.000000 0.000000\n-0.866529 6.709653 0.000000\n-2.451947 -3.172656 8.576121\nSr Mg Ti P O\n2 2 2 4 16\ndirect\n0.787320 0.259992 0.051337 Sr\n0.212680 0.740008 0.948663 Sr\n0.657388 0.250698 0.647203 Mg\n0.342612 0.749302 0.352797 Mg\n0.942193 0.664800 0.549376 Ti\n0.057807 0.335200 0.450624 Ti\n0.842527 0.821949 0.236347 P\n0.157473 0.178051 0.763653 P\n0.442148 0.270251 0.296956 P\n0.557852 0.729749 0.703044 P\n0.067334 0.325196 0.890370 O\n0.556593 0.741842 0.211222 O\n0.106776 0.946140 0.758192 O\n0.742989 0.571802 0.692116 O\n0.443407 0.258158 0.788778 O\n0.571881 0.833299 0.577006 O\n0.428119 0.166701 0.422994 O\n0.625217 0.881564 0.869096 O\n0.893224 0.053860 0.241808 O\n0.374783 0.118436 0.130904 O\n0.932666 0.674804 0.109630 O\n0.014468 0.809956 0.392693 O\n0.985532 0.190044 0.607307 O\n0.716803 0.411150 0.346125 O\n0.257011 0.428198 0.307884 O\n0.283197 0.588850 0.653875 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 3.599249803603779,
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"volume": 322.70512125448454,
"volume_molar": 7.474521785259129,
"formula_full": "Sr2 Mg2 Ti2 P4 O16",
"formula_reduced": "SrMgTi(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -201.08504239,
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"energy_above_hull": null,
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"total_magnetization": 7.28e-05,
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"updated_at": "2021-11-28T01:37:03.359000Z",
"spacegroup": 2
},
{
"id": "mp-867172",
"created_at": "2022-09-04T14:42:52.160319Z",
"structure_string": "Sr1 Mg1 Tl2\n1.0\n0.000000 3.886229 3.886229\n3.886229 0.000000 3.886229\n3.886229 3.886229 0.000000\nSr Mg Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Sr-Tl",
"density": 7.365708177865979,
"density_atomic": 0.034075703513957965,
"volume": 117.38569090324239,
"volume_molar": 17.67282884572943,
"formula_full": "Sr1 Mg1 Tl2",
"formula_reduced": "SrMgTl2",
"formula_anonymous": "ABC2",
"energy": -9.15156078,
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"updated_at": "2021-11-28T01:35:52.431000Z",
"spacegroup": 225
},
{
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"updated_at": "2021-11-28T01:35:11.101000Z",
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},
{
"id": "mp-1208827",
"created_at": "2022-09-04T14:45:29.172892Z",
"structure_string": "Sr8 Mg8 V16 O56\n1.0\n15.043800 0.000000 0.000000\n0.000000 6.924078 0.000000\n0.000000 1.823767 11.353945\nSr Mg V O\n8 8 16 56\ndirect\n0.004817 0.917381 0.745373 Sr\n0.995183 0.082619 0.254627 Sr\n0.504817 0.082619 0.754627 Sr\n0.495183 0.917381 0.245373 Sr\n0.375733 0.658425 0.979189 Sr\n0.624267 0.341575 0.020811 Sr\n0.875733 0.341575 0.520811 Sr\n0.124267 0.658425 0.479189 Sr\n0.324470 0.361352 0.577076 Mg\n0.675530 0.638648 0.422924 Mg\n0.824470 0.638648 0.922924 Mg\n0.175530 0.361352 0.077076 Mg\n0.246012 0.995953 0.750101 Mg\n0.753988 0.004047 0.249899 Mg\n0.746012 0.004047 0.749899 Mg\n0.253988 0.995953 0.250101 Mg\n0.362910 0.873499 0.520974 V\n0.637090 0.126501 0.479026 V\n0.862910 0.126501 0.979026 V\n0.137090 0.873499 0.020974 V\n0.012401 0.408901 0.822843 V\n0.987599 0.591099 0.177157 V\n0.512401 0.591099 0.677157 V\n0.487599 0.408901 0.322843 V\n0.864132 0.844331 0.518244 V\n0.135868 0.155669 0.481756 V\n0.364132 0.155669 0.981756 V\n0.635868 0.844331 0.018244 V\n0.199998 0.486177 0.798629 V\n0.800002 0.513823 0.201371 V\n0.699998 0.513823 0.701371 V\n0.300002 0.486177 0.298629 V\n0.291628 0.680236 0.549686 O\n0.708372 0.319764 0.450314 O\n0.791628 0.319764 0.950314 O\n0.208372 0.680236 0.049686 O\n0.482347 0.716411 0.786212 O\n0.517653 0.283589 0.213788 O\n0.982347 0.283589 0.713788 O\n0.017653 0.716411 0.286212 O\n0.142427 0.968872 0.872952 O\n0.857573 0.031128 0.127048 O\n0.642427 0.031128 0.627048 O\n0.357573 0.968872 0.372952 O\n0.101914 0.571827 0.715651 O\n0.898086 0.428173 0.284349 O\n0.601914 0.428173 0.784349 O\n0.398086 0.571827 0.215651 O\n0.785492 0.652075 0.533730 O\n0.214508 0.347925 0.466270 O\n0.285492 0.347925 0.966270 O\n0.714508 0.652075 0.033730 O\n0.853621 0.990433 0.628807 O\n0.146379 0.009567 0.371193 O\n0.353621 0.009567 0.871193 O\n0.646379 0.990433 0.128807 O\n0.245424 0.311868 0.723780 O\n0.754576 0.688132 0.276220 O\n0.745424 0.688132 0.776220 O\n0.254576 0.311868 0.223780 O\n0.439895 0.405774 0.667289 O\n0.560105 0.594226 0.332711 O\n0.939895 0.594226 0.832711 O\n0.060105 0.405774 0.167289 O\n0.472165 0.779061 0.550386 O\n0.527835 0.220939 0.449614 O\n0.972165 0.220939 0.949614 O\n0.027835 0.779061 0.050386 O\n0.967101 0.738736 0.537364 O\n0.032899 0.261264 0.462636 O\n0.467101 0.261264 0.962636 O\n0.532899 0.738736 0.037364 O\n0.119085 0.398740 0.915047 O\n0.880915 0.601260 0.084953 O\n0.619085 0.601260 0.584953 O\n0.380915 0.398740 0.415047 O\n0.143085 0.000085 0.616255 O\n0.856915 0.999915 0.383745 O\n0.643085 0.999915 0.883745 O\n0.356915 0.000085 0.116255 O\n0.263743 0.688880 0.798083 O\n0.736257 0.311120 0.201917 O\n0.763743 0.311120 0.701917 O\n0.236257 0.688880 0.298083 O\n0.842153 0.950396 0.885697 O\n0.157847 0.049604 0.114303 O\n0.342153 0.049604 0.614303 O\n0.657847 0.950396 0.385697 O\n",
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"formula_full": "Sr8 Mg8 V16 O56",
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},
{
"id": "mp-1375395",
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"structure_string": "Sr2 Mg2 V2 P4 O16\n1.0\n5.561956 0.000000 0.000000\n-0.976194 6.937153 0.000000\n-1.831426 -3.730746 8.525323\nSr Mg V P O\n2 2 2 4 16\ndirect\n0.200482 0.753060 0.047934 Sr\n0.799518 0.246940 0.952066 Sr\n0.336771 0.729818 0.652852 Mg\n0.663229 0.270182 0.347148 Mg\n0.081140 0.290289 0.561633 V\n0.918860 0.709711 0.438367 V\n0.157722 0.189766 0.234141 P\n0.842278 0.810234 0.765859 P\n0.538541 0.721709 0.302334 P\n0.461459 0.278291 0.697666 P\n0.928390 0.661076 0.888357 O\n0.447960 0.262285 0.211810 O\n0.895844 0.029440 0.771363 O\n0.263654 0.421022 0.698987 O\n0.552040 0.737715 0.788190 O\n0.429212 0.176342 0.574740 O\n0.570788 0.823658 0.425260 O\n0.395364 0.128874 0.863757 O\n0.104156 0.970560 0.228637 O\n0.604636 0.871126 0.136243 O\n0.071610 0.338924 0.111643 O\n0.973714 0.189562 0.394607 O\n0.026286 0.810438 0.605393 O\n0.255925 0.586759 0.365942 O\n0.736346 0.578978 0.301013 O\n0.744075 0.413241 0.634058 O\n",
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],
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"formula_full": "Sr2 Mg2 V2 P4 O16",
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}
]
}