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{
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"results": [
{
"id": "mp-556290",
"created_at": "2022-09-04T14:41:21.201354Z",
"structure_string": "Sr12 Mg12 F48\n1.0\n16.803986 0.000000 0.000000\n0.000000 7.789299 0.000000\n0.000000 2.135712 7.868094\nSr Mg F\n12 12 48\ndirect\n0.081962 0.160587 0.835014 Sr\n0.581962 0.839413 0.164986 Sr\n0.750000 0.163743 0.833555 Sr\n0.915329 0.835844 0.666345 Sr\n0.750000 0.156147 0.336316 Sr\n0.415329 0.164156 0.333655 Sr\n0.250000 0.836257 0.166445 Sr\n0.584671 0.835844 0.666345 Sr\n0.418038 0.160587 0.835014 Sr\n0.084671 0.164156 0.333655 Sr\n0.250000 0.843853 0.663684 Sr\n0.918038 0.839413 0.164986 Sr\n0.250000 0.324202 0.043774 Mg\n0.917238 0.320997 0.544759 Mg\n0.583295 0.322863 0.044416 Mg\n0.083295 0.677137 0.955584 Mg\n0.750000 0.671661 0.457167 Mg\n0.250000 0.328339 0.542833 Mg\n0.417238 0.679003 0.455241 Mg\n0.416705 0.677137 0.955584 Mg\n0.082762 0.679003 0.455241 Mg\n0.916705 0.322863 0.044416 Mg\n0.582762 0.320997 0.544759 Mg\n0.750000 0.675798 0.956226 Mg\n0.499920 0.872506 0.408987 F\n0.415416 0.700461 0.699901 F\n0.667544 0.493317 0.509722 F\n0.750000 0.691694 0.202286 F\n0.334559 0.875808 0.406265 F\n0.999920 0.127494 0.591013 F\n0.000080 0.872506 0.408987 F\n0.834013 0.127638 0.093319 F\n0.419066 0.707257 0.198007 F\n0.250000 0.308306 0.797714 F\n0.166541 0.500723 0.007254 F\n0.919066 0.292743 0.801993 F\n0.666541 0.499277 0.992746 F\n0.665441 0.124192 0.593735 F\n0.584584 0.299539 0.300099 F\n0.832401 0.871481 0.909476 F\n0.500501 0.127691 0.095151 F\n0.332456 0.506683 0.490278 F\n0.165987 0.872362 0.906681 F\n0.334013 0.872362 0.906681 F\n0.832553 0.867159 0.405969 F\n0.167447 0.132841 0.594031 F\n0.915416 0.299539 0.300099 F\n0.250000 0.293553 0.301651 F\n0.167599 0.128519 0.090524 F\n0.000000 0.500000 0.500000 F\n0.834559 0.124192 0.593735 F\n0.833459 0.499277 0.992746 F\n0.332553 0.132841 0.594031 F\n0.580934 0.292743 0.801993 F\n0.667599 0.871481 0.909476 F\n0.667447 0.867159 0.405969 F\n0.332401 0.128519 0.090524 F\n0.499499 0.872309 0.904849 F\n0.999499 0.127691 0.095151 F\n0.084584 0.700461 0.699901 F\n0.080934 0.707257 0.198007 F\n0.000501 0.872309 0.904849 F\n0.333459 0.500723 0.007254 F\n0.500000 0.500000 0.500000 F\n0.832456 0.493317 0.509722 F\n0.165441 0.875808 0.406265 F\n0.167544 0.506683 0.490278 F\n0.665987 0.127638 0.093319 F\n0.750000 0.706447 0.698349 F\n0.500000 0.500000 0.000000 F\n0.500080 0.127494 0.591013 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 72,
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"elements": [
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"Mg",
"F"
],
"chemical_system": "F-Mg-Sr",
"density": 3.6359668546440993,
"density_atomic": 0.06991208761709672,
"volume": 1029.8648267283709,
"volume_molar": 8.613876319904527,
"formula_full": "Sr12 Mg12 F48",
"formula_reduced": "SrMgF4",
"formula_anonymous": "ABC4",
"energy": -417.39627322,
"energy_per_atom": -5.797170461388889,
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"energy_uncorrected": -395.22027322,
"band_gap": 6.3991,
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"updated_at": "2021-11-28T01:35:27.462000Z",
"spacegroup": 11
},
{
"id": "mp-1046445",
"created_at": "2022-09-04T14:47:57.793959Z",
"structure_string": "Sr2 Mg2 Fe2 P4 O16\n1.0\n5.478026 -0.013833 -1.107846\n-1.452287 6.184618 -2.393995\n-0.034675 0.065424 9.504693\nSr Mg Fe P O\n2 2 2 4 16\ndirect\n0.256800 0.799179 0.052628 Sr\n0.743200 0.200821 0.947372 Sr\n0.996587 0.401374 0.647944 Mg\n0.003413 0.598626 0.352056 Mg\n0.630395 0.845071 0.555670 Fe\n0.369605 0.154929 0.444330 Fe\n0.389233 0.421290 0.233513 P\n0.610767 0.578710 0.766487 P\n0.845155 0.025780 0.302167 P\n0.154845 0.974220 0.697833 P\n0.826671 0.552956 0.885123 O\n0.651800 0.476533 0.207844 O\n0.661394 0.807756 0.766958 O\n0.955000 0.114964 0.685090 O\n0.348200 0.523467 0.792156 O\n0.011967 0.735872 0.582840 O\n0.988033 0.264128 0.417160 O\n0.247794 0.998477 0.866589 O\n0.338606 0.192244 0.233042 O\n0.752206 0.001523 0.133411 O\n0.173329 0.447044 0.114877 O\n0.372391 0.584988 0.393998 O\n0.627609 0.415012 0.606002 O\n0.622137 0.950840 0.362217 O\n0.045000 0.885036 0.314910 O\n0.377863 0.049160 0.637783 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "Fe-Mg-O-P-Sr",
"density": 3.683149777009653,
"density_atomic": 0.08060820427084885,
"volume": 322.5478130320122,
"volume_molar": 7.470878199649769,
"formula_full": "Sr2 Mg2 Fe2 P4 O16",
"formula_reduced": "SrMgFe(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -199.38619195,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.099000Z",
"spacegroup": 2
},
{
"id": "mp-1369438",
"created_at": "2022-09-04T14:42:08.894445Z",
"structure_string": "Sr2 Mg2 Fe2 P4 O16\n1.0\n5.588943 0.000000 0.000000\n-0.964233 6.720127 0.000000\n-1.918178 -3.593500 8.587900\nSr Mg Fe P O\n2 2 2 4 16\ndirect\n0.204172 0.746551 0.052628 Sr\n0.795828 0.253449 0.947372 Sr\n0.348642 0.753430 0.647944 Mg\n0.651358 0.246570 0.352056 Mg\n0.074725 0.289401 0.555670 Fe\n0.925275 0.710599 0.444330 Fe\n0.155721 0.187777 0.233513 P\n0.844279 0.812223 0.766487 P\n0.542987 0.723613 0.302167 P\n0.457013 0.276387 0.697833 P\n0.941548 0.667833 0.885123 O\n0.443956 0.268689 0.207844 O\n0.894437 0.040798 0.766958 O\n0.269910 0.429873 0.685090 O\n0.556044 0.731311 0.792156 O\n0.429127 0.153032 0.582840 O\n0.570873 0.846968 0.417160 O\n0.381206 0.131888 0.866589 O\n0.105563 0.959202 0.233042 O\n0.618794 0.868112 0.133411 O\n0.058452 0.332167 0.114877 O\n0.978393 0.190991 0.393998 O\n0.021607 0.809009 0.606002 O\n0.259920 0.588623 0.362217 O\n0.730090 0.570127 0.314910 O\n0.740080 0.411377 0.637783 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"P",
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],
"chemical_system": "Fe-Mg-O-P-Sr",
"density": 3.683149453331215,
"density_atomic": 0.08060819718692905,
"volume": 322.54784137779984,
"volume_molar": 7.4708788561971655,
"formula_full": "Sr2 Mg2 Fe2 P4 O16",
"formula_reduced": "SrMgFe(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -113.6742392,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:35.794000Z",
"spacegroup": 2
},
{
"id": "mp-15643",
"created_at": "2022-09-04T14:46:33.682504Z",
"structure_string": "Sr4 Mg4 Ge4\n1.0\n4.628729 0.000000 0.000000\n0.000000 7.878230 0.000000\n0.000000 0.000000 8.647173\nSr Mg Ge\n4 4 4\ndirect\n0.250000 0.015517 0.183265 Sr\n0.250000 0.515517 0.316735 Sr\n0.750000 0.484483 0.683265 Sr\n0.750000 0.984483 0.816735 Sr\n0.750000 0.357730 0.062614 Mg\n0.250000 0.642270 0.937386 Mg\n0.750000 0.857730 0.437386 Mg\n0.250000 0.142270 0.562614 Mg\n0.750000 0.220902 0.390077 Ge\n0.250000 0.279098 0.890077 Ge\n0.250000 0.779098 0.609923 Ge\n0.750000 0.720902 0.109923 Ge\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Ge-Mg-Sr",
"density": 3.887710143331878,
"density_atomic": 0.038055434766042014,
"volume": 315.3294680187954,
"volume_molar": 15.82465368487587,
"formula_full": "Sr4 Mg4 Ge4",
"formula_reduced": "SrMgGe",
"formula_anonymous": "ABC",
"energy": -38.07465757,
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"updated_at": "2021-11-28T01:37:37.908000Z",
"spacegroup": 62
},
{
"id": "mp-643009",
"created_at": "2022-09-04T14:44:14.745684Z",
"structure_string": "Sr2 Mg2 H8\n1.0\n1.976933 -6.772070 0.000000\n1.976933 6.772070 0.000000\n0.000000 0.000000 5.613717\nSr Mg H\n2 2 8\ndirect\n0.151313 0.848687 0.244341 Sr\n0.848687 0.151313 0.744341 Sr\n0.415158 0.584842 0.290094 Mg\n0.584842 0.415158 0.790094 Mg\n0.334309 0.665691 0.013333 H\n0.665691 0.334309 0.513333 H\n0.299704 0.700296 0.491608 H\n0.700296 0.299704 0.991608 H\n0.074606 0.925394 0.826759 H\n0.925394 0.074606 0.326759 H\n0.538605 0.461395 0.132865 H\n0.461395 0.538605 0.632865 H\n",
"nsites": 12,
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"elements": [
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"H"
],
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"density": 2.56201262128339,
"density_atomic": 0.07983390001374827,
"volume": 150.3120854415664,
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"formula_full": "Sr2 Mg2 H8",
"formula_reduced": "SrMgH4",
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"spacegroup": 36
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{
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"created_at": "2022-09-04T14:42:58.456014Z",
"structure_string": "Sr1 Mg1 Hg2\n1.0\n-6.471900 6.737794 9.160673\n6.471900 -6.737794 9.160673\n6.471900 6.737794 -9.160673\nSr Mg Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.232730 0.000000 0.232730 Hg\n0.767270 0.000000 0.767270 Hg\n",
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"volume": 1597.853282379941,
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"formula_full": "Sr1 Mg1 Hg2",
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"updated_at": "2021-11-28T01:35:57.888000Z",
"spacegroup": 71
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{
"id": "mp-1187185",
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"structure_string": "Sr1 Mg1 Hg2\n1.0\n0.000000 3.757877 3.757877\n3.757877 0.000000 3.757877\n3.757877 3.757877 0.000000\nSr Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"volume": 106.13476891289298,
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"formula_full": "Sr1 Mg1 Hg2",
"formula_reduced": "SrMgHg2",
"formula_anonymous": "ABC2",
"energy": -5.45174335,
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"spacegroup": 225
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{
"id": "mp-1208897",
"created_at": "2022-09-04T14:39:06.575966Z",
"structure_string": "Sr1 Mg2 In2\n1.0\n-2.347276 2.347276 6.508558\n2.347276 -2.347276 6.508558\n2.347276 2.347276 -6.508558\nSr Mg In\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.389708 0.389708 0.000000 In\n0.610292 0.610292 0.000000 In\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.235435403274222,
"density_atomic": 0.03485755466102233,
"volume": 143.44092833313385,
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"formula_full": "Sr1 Mg2 In2",
"formula_reduced": "Sr(MgIn)2",
"formula_anonymous": "AB2C2",
"energy": -11.75615554,
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"updated_at": "2021-11-28T01:34:29.224000Z",
"spacegroup": 139
},
{
"id": "mp-571443",
"created_at": "2022-09-04T14:44:57.442262Z",
"structure_string": "Sr1 Mg1 In3\n1.0\n-2.367969 2.367969 6.434591\n2.367969 -2.367969 6.434591\n2.367969 2.367969 -6.434591\nSr Mg In\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Mg\n0.389066 0.389066 0.000000 In\n0.610934 0.610934 0.000000 In\n0.750000 0.250000 0.500000 In\n",
"nsites": 5,
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"volume": 144.32214123542153,
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"formula_full": "Sr1 Mg1 In3",
"formula_reduced": "SrMgIn3",
"formula_anonymous": "ABC3",
"energy": -13.0102044,
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"updated_at": "2021-11-28T01:36:49.048000Z",
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{
"id": "mp-1522468",
"created_at": "2022-09-04T14:40:37.899882Z",
"structure_string": "Sr1 Mg1 In1 W1 O6\n1.0\n-0.000000 -4.001687 -4.001687\n4.001687 -0.000000 -4.001687\n4.001687 -4.001687 0.000000\nSr Mg In W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 -0.000000 Mg\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 W\n0.743309 0.256691 0.256691 O\n0.256691 0.743309 0.743309 O\n0.743309 0.256691 0.743309 O\n0.256691 0.743309 0.256691 O\n0.743309 0.743309 0.256691 O\n0.256691 0.256691 0.743309 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.563527026035745,
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"volume": 128.16202031285835,
"volume_molar": 7.718097264100122,
"formula_full": "Sr1 Mg1 In1 W1 O6",
"formula_reduced": "SrMgInWO6",
"formula_anonymous": "ABCDE6",
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"spacegroup": 216
},
{
"id": "mp-1046354",
"created_at": "2022-09-04T14:43:34.669843Z",
"structure_string": "Sr4 Mg4 Mn4 P8 O32\n1.0\n-1.465033 6.372920 -2.467493\n-10.911433 0.024420 2.195408\n3.971442 6.319500 5.933613\nSr Mg Mn P O\n4 4 4 8 32\ndirect\n0.752761 0.399929 0.049248 Sr\n0.752784 0.899912 0.049250 Sr\n0.247229 0.600080 0.950748 Sr\n0.247234 0.100079 0.950747 Sr\n0.730818 0.330423 0.653895 Mg\n0.730814 0.830426 0.653901 Mg\n0.269181 0.669572 0.346102 Mg\n0.269185 0.169576 0.346103 Mg\n0.278788 0.464360 0.558557 Mn\n0.721249 0.035623 0.441433 Mn\n0.278762 0.964372 0.558538 Mn\n0.721223 0.535662 0.441443 Mn\n0.191795 0.420530 0.228423 P\n0.191803 0.920529 0.228421 P\n0.808198 0.579469 0.771578 P\n0.808203 0.079469 0.771580 P\n0.721208 0.230383 0.300764 P\n0.721207 0.730376 0.300762 P\n0.278791 0.769625 0.699238 P\n0.278793 0.269615 0.699237 P\n0.655000 0.536260 0.891309 O\n0.655008 0.036257 0.891307 O\n0.344991 0.463743 0.108696 O\n0.344993 0.963744 0.108697 O\n0.263662 0.276515 0.209598 O\n0.263664 0.776519 0.209603 O\n0.736332 0.723482 0.790398 O\n0.736339 0.223485 0.790401 O\n0.027023 0.552781 0.778363 O\n0.027028 0.052774 0.778357 O\n0.972970 0.447224 0.221645 O\n0.972979 0.947221 0.221638 O\n0.423300 0.366844 0.695784 O\n0.423297 0.866848 0.695785 O\n0.576698 0.633153 0.304217 O\n0.576701 0.133153 0.304218 O\n0.174443 0.781959 0.576452 O\n0.174445 0.281959 0.576451 O\n0.825557 0.218039 0.423549 O\n0.825552 0.718040 0.423550 O\n0.127796 0.804563 0.865647 O\n0.127795 0.304559 0.865645 O\n0.872206 0.195441 0.134356 O\n0.872204 0.695435 0.134357 O\n0.184434 0.513311 0.390689 O\n0.184428 0.013312 0.390690 O\n0.815567 0.486688 0.609311 O\n0.815567 0.986687 0.609313 O\n0.587374 0.372128 0.359659 O\n0.587367 0.872125 0.359660 O\n0.412633 0.627873 0.640341 O\n0.412624 0.127871 0.640342 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Mn",
"P",
"O"
],
"chemical_system": "Mg-Mn-O-P-Sr",
"density": 3.5980821992700767,
"density_atomic": 0.07894660672037977,
"volume": 658.6730216813282,
"volume_molar": 7.6281185603451735,
"formula_full": "Sr4 Mg4 Mn4 P8 O32",
"formula_reduced": "SrMgMn(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -405.641008,
"energy_per_atom": -7.800788615384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -376.985008,
"band_gap": 3.747100000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.304000Z",
"spacegroup": 2
},
{
"id": "mp-1370338",
"created_at": "2022-09-04T14:40:37.025461Z",
"structure_string": "Sr2 Mg2 Mn2 P4 O16\n1.0\n5.565368 0.000000 0.000000\n-0.953420 6.940569 0.000000\n-1.907016 -3.704246 8.577851\nSr Mg Mn P O\n2 2 2 4 16\ndirect\n0.200184 0.753404 0.048985 Sr\n0.799816 0.246596 0.951015 Sr\n0.339666 0.729838 0.652054 Mg\n0.660334 0.270162 0.347946 Mg\n0.071618 0.279096 0.558906 Mn\n0.928382 0.720904 0.441094 Mn\n0.159834 0.191749 0.229423 P\n0.840166 0.808251 0.770577 P\n0.539024 0.721462 0.301101 P\n0.460976 0.278538 0.698899 P\n0.926072 0.657421 0.891464 O\n0.447153 0.262881 0.211485 O\n0.892544 0.027042 0.775906 O\n0.266038 0.422938 0.695711 O\n0.552847 0.737119 0.788515 O\n0.434089 0.174534 0.576543 O\n0.565911 0.825466 0.423457 O\n0.390513 0.128699 0.864568 O\n0.107456 0.972958 0.224094 O\n0.609487 0.871301 0.135432 O\n0.073928 0.342579 0.108536 O\n0.973682 0.186932 0.390448 O\n0.026318 0.813068 0.609552 O\n0.256101 0.588400 0.359990 O\n0.733962 0.577062 0.304289 O\n0.743899 0.411600 0.640010 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Mn",
"P",
"O"
],
"chemical_system": "Mg-Mn-O-P-Sr",
"density": 3.576378702113676,
"density_atomic": 0.07847040374346868,
"volume": 331.3351118339831,
"volume_molar": 7.674410316133031,
"formula_full": "Sr2 Mg2 Mn2 P4 O16",
"formula_reduced": "SrMgMn(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -117.69016548999998,
"energy_per_atom": -4.526544826538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.36216549,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0010429,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.361000Z",
"spacegroup": 2
}
]
}