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{
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"results": [
{
"id": "mp-1185724",
"created_at": "2022-09-04T14:40:28.568661Z",
"structure_string": "Mg16 Mn1 Al12\n1.0\n7.608747 -4.392912 3.106258\n-0.100639 8.495304 2.941915\n-7.407468 -4.160495 2.941915\nMg Mn Al\n16 1 12\ndirect\n0.994088 0.000000 0.999999 Mg\n0.004058 0.350978 0.000000 Mg\n0.318622 0.601094 0.000000 Mg\n0.588063 0.292780 0.000000 Mg\n0.683381 0.681023 0.280597 Mg\n0.588062 0.000000 0.292780 Mg\n0.002358 0.599574 0.318977 Mg\n0.004058 0.000000 0.350978 Mg\n0.402784 0.719403 0.400427 Mg\n0.717529 0.398907 0.398907 Mg\n0.318622 0.999999 0.601094 Mg\n0.002358 0.318977 0.599574 Mg\n0.653079 0.649022 0.649022 Mg\n0.683381 0.280597 0.681023 Mg\n0.295282 0.707220 0.707220 Mg\n0.402784 0.400427 0.719403 Mg\n0.293986 0.999999 0.999999 Mn\n0.641515 0.810475 0.000000 Al\n0.814802 0.625250 0.000000 Al\n0.367132 0.362854 0.181403 Al\n0.185730 0.818596 0.181450 Al\n0.831039 0.189525 0.189525 Al\n0.367132 0.181404 0.362854 Al\n0.189551 0.374751 0.374751 Al\n0.814801 0.000000 0.625251 Al\n0.004279 0.818551 0.637146 Al\n0.641516 0.000000 0.810475 Al\n0.004278 0.637147 0.818550 Al\n0.185730 0.181450 0.818596 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Al"
],
"chemical_system": "Al-Mg-Mn",
"density": 2.218686926469897,
"density_atomic": 0.05047913848333667,
"volume": 574.4947491442033,
"volume_molar": 11.92995946630097,
"formula_full": "Mg16 Mn1 Al12",
"formula_reduced": "Mg16MnAl12",
"formula_anonymous": "AB12C16",
"energy": -79.76776044,
"energy_per_atom": -2.750612428965517,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -79.76776044,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.1184832,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.674000Z",
"spacegroup": 160
},
{
"id": "mp-1190104",
"created_at": "2022-09-04T14:40:28.566061Z",
"structure_string": "Dy6 Ge6 Pd6\n1.0\n-2.207178 3.816018 10.510978\n2.207178 -3.816018 10.510978\n2.207178 3.816018 -10.510978\nDy Ge Pd\n6 6 6\ndirect\n0.535361 0.000000 0.535361 Dy\n0.868583 0.333617 0.534967 Dy\n0.201350 0.666383 0.534967 Dy\n0.951888 0.500000 0.451888 Dy\n0.625674 0.167333 0.458341 Dy\n0.291008 0.832667 0.458341 Dy\n0.219632 0.064833 0.154798 Ge\n0.089965 0.935167 0.154798 Ge\n0.072965 0.235229 0.837736 Ge\n0.602507 0.764771 0.837736 Ge\n0.561928 0.406186 0.155742 Ge\n0.749556 0.593814 0.155742 Ge\n0.931375 0.104141 0.827234 Pd\n0.723093 0.895859 0.827234 Pd\n0.433260 0.266718 0.166542 Pd\n0.899824 0.733282 0.166542 Pd\n0.251050 0.427785 0.823265 Pd\n0.395480 0.572215 0.823265 Pd\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Dy",
"Ge",
"Pd"
],
"chemical_system": "Dy-Ge-Pd",
"density": 9.609846730291896,
"density_atomic": 0.05083017599705132,
"volume": 354.12035561403894,
"volume_molar": 11.847570152716658,
"formula_full": "Dy6 Ge6 Pd6",
"formula_reduced": "DyGePd",
"formula_anonymous": "ABC",
"energy": -104.21637417,
"energy_per_atom": -5.789798565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.21637417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005687,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.136000Z",
"spacegroup": 44
},
{
"id": "mp-780671",
"created_at": "2022-09-04T14:40:28.561897Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n4.015686 4.091001 0.000000\n-4.015686 4.091001 0.000000\n0.000000 0.030527 8.192086\nSr Ta N O\n4 4 4 8\ndirect\n0.995640 0.994460 0.750098 Sr\n0.497171 0.491678 0.750082 Sr\n0.508322 0.502829 0.249918 Sr\n0.005540 0.004360 0.249902 Sr\n0.009260 0.508249 0.507945 Ta\n0.993814 0.489675 0.990757 Ta\n0.510325 0.006186 0.009243 Ta\n0.491751 0.990740 0.492055 Ta\n0.771887 0.228113 0.000000 N\n0.521159 0.976259 0.250081 N\n0.023741 0.478841 0.749919 N\n0.227497 0.772503 0.500000 N\n0.775742 0.224258 0.500000 O\n0.476292 0.028313 0.749609 O\n0.971687 0.523708 0.250391 O\n0.723155 0.726204 0.975825 O\n0.275290 0.274947 0.475963 O\n0.725053 0.724710 0.524037 O\n0.273796 0.276845 0.024175 O\n0.222880 0.777120 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ta",
"density": 7.762779080637954,
"density_atomic": 0.07430467944957779,
"volume": 269.16205208275943,
"volume_molar": 8.104658824464144,
"formula_full": "Sr4 Ta4 N4 O8",
"formula_reduced": "SrTaNO2",
"formula_anonymous": "ABCD2",
"energy": -182.04964423,
"energy_per_atom": -9.1024822115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.10964422999996,
"band_gap": 0.6686000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.778000Z",
"spacegroup": 5
},
{
"id": "mp-862716",
"created_at": "2022-09-04T14:40:28.561857Z",
"structure_string": "Li1 Ag3\n1.0\n-2.049541 2.049541 4.135616\n2.049541 -2.049541 4.135616\n2.049541 2.049541 -4.135616\nLi Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ag"
],
"chemical_system": "Ag-Li",
"density": 7.898908055833461,
"density_atomic": 0.057563417790423656,
"volume": 69.48857718218126,
"volume_molar": 10.461749825080492,
"formula_full": "Li1 Ag3",
"formula_reduced": "LiAg3",
"formula_anonymous": "AB3",
"energy": -10.99844419,
"energy_per_atom": -2.7496110475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.99844419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008313,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.806000Z",
"spacegroup": 139
},
{
"id": "mp-1219810",
"created_at": "2022-09-04T14:40:28.561452Z",
"structure_string": "Pu4 Zr1\n1.0\n-1.617975 -1.715632 1.715632\n-1.617975 1.715632 -1.715632\n-1.617975 -8.353323 -8.353323\nPu Zr\n4 1\ndirect\n0.383343 0.383343 0.233314 Pu\n0.799538 0.799538 0.400924 Pu\n0.200462 0.200462 0.599076 Pu\n0.616657 0.616657 0.766686 Pu\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Pu",
"Zr"
],
"chemical_system": "Pu-Zr",
"density": 19.10686652070322,
"density_atomic": 0.05390819533198748,
"volume": 92.75027607969567,
"volume_molar": 11.171104361615766,
"formula_full": "Pu4 Zr1",
"formula_reduced": "Pu4Zr",
"formula_anonymous": "AB4",
"energy": -62.897435,
"energy_per_atom": -12.579487,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.897435,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7356666,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.015000Z",
"spacegroup": 69
},
{
"id": "mp-1190096",
"created_at": "2022-09-04T14:40:28.559516Z",
"structure_string": "Tb4 W4 C8\n1.0\n3.403906 0.000000 0.000000\n0.000000 5.749348 0.000000\n0.000000 0.000000 10.841218\nTb W C\n4 4 8\ndirect\n0.250000 0.085174 0.862892 Tb\n0.250000 0.585174 0.637108 Tb\n0.750000 0.914826 0.137108 Tb\n0.750000 0.414826 0.362892 Tb\n0.250000 0.404267 0.110370 W\n0.250000 0.904267 0.389630 W\n0.750000 0.595733 0.889630 W\n0.750000 0.095733 0.610370 W\n0.250000 0.160840 0.247228 C\n0.250000 0.660840 0.252772 C\n0.750000 0.839160 0.752772 C\n0.750000 0.339160 0.747228 C\n0.250000 0.720463 0.984307 C\n0.250000 0.220463 0.515693 C\n0.750000 0.279537 0.015693 C\n0.750000 0.779537 0.484307 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"W",
"C"
],
"chemical_system": "C-Tb-W",
"density": 11.48281835459516,
"density_atomic": 0.07541291878922106,
"volume": 212.16523981414863,
"volume_molar": 7.985555865874745,
"formula_full": "Tb4 W4 C8",
"formula_reduced": "TbWC2",
"formula_anonymous": "ABC2",
"energy": -148.47283367,
"energy_per_atom": -9.279552104375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.47283367,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000801,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.949000Z",
"spacegroup": 62
},
{
"id": "mp-6362",
"created_at": "2022-09-04T14:40:28.559214Z",
"structure_string": "Sr4 Tb2 Ir2 O12\n1.0\n5.890886 0.000000 0.000000\n0.000000 5.833096 0.000000\n0.000000 5.769918 8.280822\nSr Tb Ir O\n4 2 2 12\ndirect\n0.463559 0.759419 0.249163 Sr\n0.963559 0.240581 0.250837 Sr\n0.036441 0.759419 0.749163 Sr\n0.536441 0.240581 0.750837 Sr\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.199727 0.232242 0.038232 O\n0.699727 0.767758 0.461768 O\n0.800273 0.767758 0.961768 O\n0.300273 0.232242 0.538232 O\n0.728554 0.156157 0.040274 O\n0.228554 0.843843 0.459726 O\n0.271446 0.843843 0.959726 O\n0.771446 0.156157 0.540274 O\n0.518546 0.307908 0.265794 O\n0.018546 0.692092 0.234206 O\n0.481454 0.692092 0.734206 O\n0.981454 0.307908 0.765794 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Tb",
"Ir",
"O"
],
"chemical_system": "Ir-O-Sr-Tb",
"density": 7.264080650669636,
"density_atomic": 0.07028729079429911,
"volume": 284.54646315123256,
"volume_molar": 8.567894269284379,
"formula_full": "Sr4 Tb2 Ir2 O12",
"formula_reduced": "Sr2TbIrO6",
"formula_anonymous": "ABC2D6",
"energy": -148.55178245,
"energy_per_atom": -7.4275891225,
"energy_above_hull": null,
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"energy_uncorrected": -140.30778245,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:00.077000Z",
"spacegroup": 14
},
{
"id": "mp-764417",
"created_at": "2022-09-04T14:40:28.558179Z",
"structure_string": "Fe14 O15\n1.0\n-3.436840 3.436840 6.487357\n3.436840 -3.436840 6.487357\n3.436840 3.436840 -6.487357\nFe O\n14 15\ndirect\n0.801214 0.385252 0.186466 Fe\n0.614748 0.801214 0.415962 Fe\n0.198786 0.614748 0.813534 Fe\n0.385252 0.198786 0.584038 Fe\n0.541376 0.929646 0.802500 Fe\n0.337538 0.337538 0.000000 Fe\n0.929646 0.127146 0.388269 Fe\n0.738876 0.541376 0.611731 Fe\n0.127146 0.738876 0.197500 Fe\n0.070354 0.872854 0.611731 Fe\n0.662462 0.662462 0.000000 Fe\n0.261124 0.458624 0.388269 Fe\n0.872854 0.261124 0.802500 Fe\n0.458624 0.070354 0.197500 Fe\n0.500000 0.500000 0.000000 O\n0.676387 0.111701 0.788088 O\n0.888299 0.676387 0.564687 O\n0.111701 0.323613 0.435313 O\n0.323613 0.888299 0.211912 O\n0.818312 0.818312 0.000000 O\n0.632192 0.240870 0.202027 O\n0.240870 0.038843 0.608678 O\n0.430165 0.632192 0.391322 O\n0.038843 0.430165 0.797973 O\n0.569835 0.367808 0.608678 O\n0.759130 0.961157 0.391322 O\n0.367808 0.759130 0.797973 O\n0.181688 0.181688 0.000000 O\n0.961157 0.569835 0.202027 O\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.535763190533974,
"density_atomic": 0.09461316704289147,
"volume": 306.5112489771459,
"volume_molar": 6.365013399530271,
"formula_full": "Fe14 O15",
"formula_reduced": "Fe14O15",
"formula_anonymous": "A14B15",
"energy": -235.20147876,
"energy_per_atom": -8.110395819310344,
"energy_above_hull": null,
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"energy_uncorrected": -193.31247876,
"band_gap": 0.6050999999999993,
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"is_magnetic": true,
"total_magnetization": 58.000045,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.051000Z",
"spacegroup": 87
},
{
"id": "mp-694910",
"created_at": "2022-09-04T14:40:28.557636Z",
"structure_string": "Fe35 O36\n1.0\n9.266924 0.000000 0.000000\n-3.022538 9.267119 0.000000\n-3.112327 -3.085625 8.746252\nFe O\n35 36\ndirect\n0.665241 0.249298 0.245911 Fe\n0.996281 0.501853 0.498290 Fe\n0.889692 0.163268 0.499930 Fe\n0.224281 0.415184 0.750434 Fe\n0.995593 0.243150 0.237069 Fe\n0.102572 0.077924 0.754571 Fe\n0.337077 0.502152 0.499821 Fe\n0.448315 0.334573 0.999085 Fe\n0.221162 0.166496 0.503077 Fe\n0.318791 0.237153 0.243215 Fe\n0.444769 0.084963 0.750698 Fe\n0.553595 0.416396 0.748027 Fe\n0.681636 0.760129 0.754484 Fe\n0.554994 0.166763 0.497880 Fe\n0.665332 0.498990 0.502186 Fe\n0.886632 0.677663 0.000257 Fe\n0.773571 0.337941 0.997726 Fe\n0.780757 0.083944 0.758981 Fe\n0.892501 0.418156 0.751924 Fe\n0.004612 0.758303 0.763602 Fe\n0.110397 0.581429 0.249472 Fe\n0.215220 0.917003 0.238035 Fe\n0.110924 0.322582 0.998399 Fe\n0.226111 0.662695 0.000218 Fe\n0.328336 0.003357 0.999540 Fe\n0.443772 0.831753 0.500914 Fe\n0.329708 0.747820 0.751677 Fe\n0.444197 0.580659 0.249177 Fe\n0.552588 0.918168 0.247250 Fe\n0.554108 0.668118 0.002008 Fe\n0.675315 0.995681 0.000104 Fe\n0.775987 0.830178 0.494444 Fe\n0.777892 0.582210 0.248986 Fe\n0.899203 0.924192 0.247571 Fe\n0.114073 0.836130 0.504331 Fe\n0.451435 0.088372 0.264202 O\n0.661951 0.007728 0.505378 O\n0.776556 0.083498 0.256964 O\n0.117408 0.339582 0.500820 O\n0.999865 0.997819 0.498241 O\n0.244887 0.180599 0.002705 O\n0.114166 0.088170 0.261112 O\n0.454437 0.585642 0.755226 O\n0.330413 0.242629 0.752828 O\n0.449105 0.322361 0.496153 O\n0.560600 0.167642 0.005116 O\n0.660137 0.492326 0.998778 O\n0.657317 0.248667 0.733267 O\n0.781035 0.576952 0.746816 O\n0.005643 0.737953 0.256568 O\n0.904526 0.426892 0.251848 O\n0.762252 0.320224 0.493993 O\n0.883245 0.182027 0.996842 O\n0.004047 0.508248 0.016206 O\n0.120838 0.821353 0.001935 O\n0.213204 0.660065 0.481152 O\n0.115674 0.585026 0.745990 O\n0.993984 0.253100 0.743170 O\n0.330568 0.743091 0.255746 O\n0.214626 0.426627 0.248139 O\n0.326651 0.495748 0.993234 O\n0.443208 0.842330 0.000438 O\n0.550452 0.661075 0.501242 O\n0.666040 0.751387 0.244695 O\n0.556454 0.420453 0.251081 O\n0.881794 0.913319 0.736767 O\n0.770326 0.827816 0.001429 O\n0.889763 0.666778 0.505538 O\n0.219460 0.915114 0.743599 O\n0.343267 0.010364 0.491361 O\n0.543546 0.913388 0.744301 O\n",
"nsites": 71,
"nelements": 2,
"elements": [
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"O"
],
"chemical_system": "Fe-O",
"density": 5.594512857973422,
"density_atomic": 0.09452703186367055,
"volume": 751.1078958069701,
"volume_molar": 6.370813344361954,
"formula_full": "Fe35 O36",
"formula_reduced": "Fe35O36",
"formula_anonymous": "A35B36",
"energy": -525.27460824,
"energy_per_atom": -7.39823391887324,
"energy_above_hull": null,
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"band_gap": 0.2105000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.773000Z",
"spacegroup": 1
},
{
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{
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{
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]
}