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{
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"results": [
{
"id": "mp-6564",
"created_at": "2022-09-04T14:41:33.534085Z",
"structure_string": "Sr4 Mg2 Si4 O14\n1.0\n8.097180 0.000000 0.000000\n0.000000 8.097180 0.000000\n0.000000 0.000000 5.226540\nSr Mg Si O\n4 2 4 14\ndirect\n0.666144 0.166144 0.507879 Sr\n0.833856 0.666144 0.492121 Sr\n0.166144 0.333856 0.492121 Sr\n0.333856 0.833856 0.507879 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.861302 0.361302 0.943523 Si\n0.138698 0.638698 0.943523 Si\n0.638698 0.861302 0.056477 Si\n0.361302 0.138698 0.056477 Si\n0.689904 0.420450 0.801496 O\n0.310096 0.579550 0.801496 O\n0.420450 0.310096 0.198504 O\n0.579550 0.689904 0.198504 O\n0.920450 0.189904 0.801496 O\n0.810096 0.920450 0.198504 O\n0.189904 0.079550 0.198504 O\n0.079550 0.810096 0.801496 O\n0.859971 0.359971 0.253536 O\n0.640029 0.859971 0.746464 O\n0.500000 0.000000 0.164772 O\n0.000000 0.500000 0.835228 O\n0.140029 0.640029 0.253536 O\n0.359971 0.140029 0.746464 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-Sr",
"density": 3.563730007284474,
"density_atomic": 0.07003729684579983,
"volume": 342.6745617101767,
"volume_molar": 8.598476856208293,
"formula_full": "Sr4 Mg2 Si4 O14",
"formula_reduced": "Sr2MgSi2O7",
"formula_anonymous": "AB2C2D7",
"energy": -182.5757761,
"energy_per_atom": -7.607324004166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.9577761,
"band_gap": 4.495900000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.250000Z",
"spacegroup": 113
},
{
"id": "mp-972112",
"created_at": "2022-09-04T14:39:09.636608Z",
"structure_string": "Sr4 Mg2 U2 O12\n1.0\n5.876014 0.000000 0.000000\n0.000000 5.851471 0.000000\n0.000000 5.806781 8.260353\nSr Mg U O\n4 2 2 12\ndirect\n0.031674 0.261377 0.747793 Sr\n0.531674 0.738623 0.752207 Sr\n0.468326 0.261377 0.247793 Sr\n0.968326 0.738623 0.252207 Sr\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 U\n0.720972 0.259045 0.456089 O\n0.784943 0.679657 0.540166 O\n0.279028 0.740955 0.543911 O\n0.980997 0.832399 0.746952 O\n0.480997 0.167601 0.753048 O\n0.779028 0.259045 0.956089 O\n0.284943 0.320343 0.959834 O\n0.715057 0.679657 0.040166 O\n0.220972 0.740955 0.043911 O\n0.519003 0.832399 0.246952 O\n0.019003 0.167601 0.253048 O\n0.215057 0.320343 0.459834 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"U",
"O"
],
"chemical_system": "Mg-O-Sr-U",
"density": 6.239133278427522,
"density_atomic": 0.07041797141238089,
"volume": 284.0184060809738,
"volume_molar": 8.551994099252322,
"formula_full": "Sr4 Mg2 U2 O12",
"formula_reduced": "Sr2MgUO6",
"formula_anonymous": "ABC2D6",
"energy": -161.56712993,
"energy_per_atom": -8.0783564965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.32312993,
"band_gap": 2.1157,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.105000Z",
"spacegroup": 14
},
{
"id": "mp-1116",
"created_at": "2022-09-04T14:47:24.642082Z",
"structure_string": "Sr4 Mg34\n1.0\n5.254352 -9.100805 0.000000\n5.254352 9.100805 0.000000\n0.000000 0.000000 10.311687\nSr Mg\n4 34\ndirect\n0.666667 0.333333 0.250000 Sr\n0.333333 0.666667 0.750000 Sr\n0.000000 0.000000 0.750000 Sr\n0.000000 0.000000 0.250000 Sr\n0.165131 0.330262 0.520814 Mg\n0.669738 0.834869 0.520814 Mg\n0.165131 0.834869 0.520814 Mg\n0.834869 0.165131 0.020814 Mg\n0.333333 0.666667 0.102127 Mg\n0.666667 0.333333 0.602127 Mg\n0.666667 0.333333 0.897873 Mg\n0.333333 0.666667 0.397873 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.329013 0.961487 0.250000 Mg\n0.367526 0.329013 0.750000 Mg\n0.961487 0.632474 0.750000 Mg\n0.038513 0.367526 0.250000 Mg\n0.632474 0.670987 0.250000 Mg\n0.367526 0.038513 0.750000 Mg\n0.670987 0.632474 0.750000 Mg\n0.670987 0.038513 0.750000 Mg\n0.961487 0.329013 0.750000 Mg\n0.038513 0.670987 0.250000 Mg\n0.632474 0.961487 0.250000 Mg\n0.329013 0.367526 0.250000 Mg\n0.165131 0.834869 0.979186 Mg\n0.330262 0.165131 0.479186 Mg\n0.834869 0.669738 0.479186 Mg\n0.165131 0.330262 0.979186 Mg\n0.669738 0.834869 0.979186 Mg\n0.330262 0.165131 0.020814 Mg\n0.834869 0.669738 0.020814 Mg\n0.834869 0.165131 0.479186 Mg\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 1.981579582434847,
"density_atomic": 0.03853229763471694,
"volume": 986.1856762406676,
"volume_molar": 15.628813046887073,
"formula_full": "Sr4 Mg34",
"formula_reduced": "Sr2Mg17",
"formula_anonymous": "A2B17",
"energy": -62.2470613,
"energy_per_atom": -1.6380805605263158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.2470613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.020333,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.638000Z",
"spacegroup": 194
},
{
"id": "mp-1020634",
"created_at": "2022-09-04T14:45:17.529497Z",
"structure_string": "Sr4 Mg4 B8 O20\n1.0\n5.376489 0.000000 0.000000\n0.000000 6.607423 0.000000\n0.000000 2.654364 11.846141\nSr Mg B O\n4 4 8 20\ndirect\n0.609581 0.816466 0.689869 Sr\n0.109581 0.183534 0.810131 Sr\n0.390419 0.183534 0.310131 Sr\n0.890419 0.816466 0.189869 Sr\n0.585491 0.346660 0.605833 Mg\n0.085491 0.653340 0.894167 Mg\n0.414509 0.653340 0.394167 Mg\n0.914509 0.346660 0.105833 Mg\n0.633306 0.355666 0.882955 B\n0.133306 0.644334 0.617045 B\n0.366694 0.644334 0.117045 B\n0.866694 0.355666 0.382955 B\n0.090675 0.183905 0.567722 B\n0.590675 0.816095 0.932278 B\n0.909325 0.816095 0.432278 B\n0.409325 0.183905 0.067722 B\n0.350561 0.601678 0.566606 O\n0.850561 0.398322 0.933394 O\n0.649439 0.398322 0.433394 O\n0.149439 0.601678 0.066606 O\n0.602647 0.376928 0.770154 O\n0.102647 0.623072 0.729846 O\n0.397353 0.623072 0.229846 O\n0.897353 0.376928 0.270154 O\n0.878493 0.152927 0.630953 O\n0.378493 0.847073 0.869047 O\n0.121507 0.847073 0.369047 O\n0.621507 0.152927 0.130953 O\n0.918803 0.717344 0.549060 O\n0.418803 0.282656 0.950940 O\n0.081197 0.282656 0.450940 O\n0.581197 0.717344 0.049060 O\n0.318931 0.129783 0.615407 O\n0.818931 0.870217 0.884593 O\n0.681069 0.870217 0.384593 O\n0.181069 0.129783 0.115407 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O-Sr",
"density": 3.3704562355507806,
"density_atomic": 0.08554501973658245,
"volume": 420.8310444121035,
"volume_molar": 7.039732737854164,
"formula_full": "Sr4 Mg4 B8 O20",
"formula_reduced": "SrMgB2O5",
"formula_anonymous": "ABC2D5",
"energy": -277.94358891,
"energy_per_atom": -7.720655247500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -264.20358891,
"band_gap": 4.6961,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024078,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.868000Z",
"spacegroup": 14
},
{
"id": "mp-1046375",
"created_at": "2022-09-04T14:39:58.870976Z",
"structure_string": "Sr4 Mg4 Co4 P8 O32\n1.0\n-3.936296 -6.283314 3.511005\n6.916033 -6.354606 1.364746\n-1.491319 6.277449 6.936290\nSr Mg Co P O\n4 4 4 8 32\ndirect\n0.997892 0.251317 0.052110 Sr\n0.498096 0.752772 0.053443 Sr\n0.501846 0.248891 0.947820 Sr\n0.001865 0.747650 0.946939 Sr\n0.138095 0.127067 0.655065 Mg\n0.637253 0.625929 0.655407 Mg\n0.362068 0.372712 0.344725 Mg\n0.862777 0.874042 0.344365 Mg\n0.037139 0.674704 0.563472 Co\n0.462100 0.825222 0.436304 Co\n0.536921 0.173169 0.562882 Co\n0.963763 0.326971 0.437722 Co\n0.209266 0.601869 0.238019 P\n0.708687 0.102469 0.237372 P\n0.290927 0.897967 0.762069 P\n0.791333 0.397556 0.762530 P\n0.216147 0.059039 0.304056 P\n0.717822 0.560011 0.303674 P\n0.283610 0.441088 0.696034 P\n0.782231 0.940043 0.696314 P\n0.251745 0.081131 0.878560 O\n0.751487 0.580762 0.878551 O\n0.248278 0.418781 0.121493 O\n0.748755 0.919108 0.121567 O\n0.038315 0.691403 0.203918 O\n0.536894 0.190525 0.202543 O\n0.462120 0.808556 0.796132 O\n0.962945 0.309008 0.796999 O\n0.151334 0.814349 0.765907 O\n0.652018 0.313403 0.765514 O\n0.348936 0.685204 0.233788 O\n0.847957 0.186547 0.234388 O\n0.310069 0.267109 0.688772 O\n0.809739 0.766867 0.690991 O\n0.189808 0.233168 0.311643 O\n0.690309 0.733300 0.309102 O\n0.414142 0.422845 0.577208 O\n0.911979 0.920765 0.576212 O\n0.085395 0.077301 0.422695 O\n0.588287 0.578928 0.423786 O\n0.307803 0.562614 0.867171 O\n0.807301 0.062599 0.866793 O\n0.191928 0.937578 0.132891 O\n0.692702 0.437548 0.133076 O\n0.214814 0.596640 0.401733 O\n0.712445 0.097372 0.401027 O\n0.285445 0.903586 0.598409 O\n0.787377 0.402627 0.598904 O\n0.899296 0.515869 0.364497 O\n0.397257 0.014809 0.365051 O\n0.600853 0.983932 0.635428 O\n0.102430 0.485276 0.634929 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Co",
"P",
"O"
],
"chemical_system": "Co-Mg-O-P-Sr",
"density": 3.7410712423343515,
"density_atomic": 0.08117505628915683,
"volume": 640.5908708553127,
"volume_molar": 7.41870844973399,
"formula_full": "Sr4 Mg4 Co4 P8 O32",
"formula_reduced": "SrMgCo(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -391.01495656,
"energy_per_atom": -7.5195183953846145,
"energy_above_hull": null,
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"energy_uncorrected": -362.47895656,
"band_gap": 2.9702,
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"is_magnetic": true,
"total_magnetization": 5.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.349000Z",
"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,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Ge"
],
"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,
"energy_per_atom": -3.1728881308333334,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -38.07465757,
"band_gap": 0.0629999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012933,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.908000Z",
"spacegroup": 62
},
{
"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,
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"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-643293",
"created_at": "2022-09-04T14:42:28.270780Z",
"structure_string": "Sr4 Mg4 Ni4 H16\n1.0\n6.920014 0.000000 0.000000\n0.000000 6.920014 0.000000\n0.000000 0.000000 6.920014\nSr Mg Ni H\n4 4 4 16\ndirect\n0.162003 0.662003 0.837997 Sr\n0.662003 0.837997 0.162003 Sr\n0.837997 0.162003 0.662003 Sr\n0.337997 0.337997 0.337997 Sr\n0.848295 0.348295 0.151705 Mg\n0.348295 0.151705 0.848295 Mg\n0.151705 0.848295 0.348295 Mg\n0.651705 0.651705 0.651705 Mg\n0.440494 0.940494 0.559506 Ni\n0.940494 0.559506 0.440494 Ni\n0.559506 0.440494 0.940494 Ni\n0.059506 0.059506 0.059506 Ni\n0.574109 0.074109 0.425891 H\n0.074109 0.425891 0.574109 H\n0.425891 0.574109 0.074109 H\n0.925891 0.925891 0.925891 H\n0.264628 0.955616 0.081374 H\n0.918626 0.764628 0.544384 H\n0.455616 0.418626 0.735372 H\n0.764628 0.544384 0.918626 H\n0.418626 0.735372 0.455616 H\n0.955616 0.081374 0.264628 H\n0.735372 0.455616 0.418626 H\n0.081374 0.264628 0.955616 H\n0.544384 0.918626 0.764628 H\n0.235372 0.044384 0.581374 H\n0.581374 0.235372 0.044384 H\n0.044384 0.581374 0.235372 H\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Ni",
"H"
],
"chemical_system": "H-Mg-Ni-Sr",
"density": 3.5007182397913432,
"density_atomic": 0.08449618715428506,
"volume": 331.37589923286896,
"volume_molar": 7.127115391613975,
"formula_full": "Sr4 Mg4 Ni4 H16",
"formula_reduced": "SrMgNiH4",
"formula_anonymous": "ABCD4",
"energy": -105.15871012,
"energy_per_atom": -3.7556682185714285,
"energy_above_hull": null,
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{
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{
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}