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{
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"results": [
{
"id": "mp-1185534",
"created_at": "2022-09-04T14:46:20.481226Z",
"structure_string": "Ho1 Mg149\n1.0\n13.878054 -8.012663 -0.000007\n-0.000152 16.025064 0.000014\n-0.000000 0.000013 15.656133\nHo Mg\n1 149\ndirect\n0.999992 0.999971 0.000024 Ho\n0.600039 0.200077 0.999999 Mg\n0.799371 0.200631 0.999999 Mg\n0.401261 0.200630 1.000000 Mg\n0.002690 0.204616 0.999999 Mg\n0.201926 0.204611 0.999998 Mg\n0.000157 0.400224 0.999997 Mg\n0.400069 0.400222 0.999999 Mg\n0.600039 0.399958 0.000002 Mg\n0.799925 0.399964 0.000002 Mg\n0.201487 0.402972 0.999999 Mg\n0.799368 0.598735 1.000000 Mg\n0.200460 0.600232 0.000001 Mg\n0.399774 0.600232 0.000001 Mg\n0.599774 0.599931 0.999995 Mg\n0.000159 0.599930 0.999998 Mg\n0.597032 0.798521 0.999999 Mg\n0.201485 0.798518 0.000002 Mg\n0.002681 0.798068 0.999996 Mg\n0.795367 0.798054 0.000000 Mg\n0.399771 0.799545 0.999997 Mg\n0.795368 0.997317 0.999998 Mg\n0.201932 0.997316 0.999999 Mg\n0.400075 0.999846 0.000000 Mg\n0.599774 0.999849 0.000000 Mg\n0.867905 0.132093 0.164746 Mg\n0.264177 0.132088 0.164747 Mg\n0.867914 0.735821 0.164749 Mg\n0.666664 0.333332 0.166068 Mg\n0.667317 0.133021 0.166510 Mg\n0.465708 0.133020 0.166511 Mg\n0.866982 0.332683 0.166506 Mg\n0.465703 0.332686 0.166510 Mg\n0.866979 0.534298 0.166510 Mg\n0.667312 0.534293 0.166508 Mg\n0.466636 0.533362 0.167182 Mg\n0.066727 0.533365 0.167181 Mg\n0.466637 0.933273 0.167179 Mg\n0.267107 0.534218 0.167267 Mg\n0.267109 0.732892 0.167268 Mg\n0.465780 0.732892 0.167264 Mg\n0.067972 0.335433 0.167592 Mg\n0.267463 0.335435 0.167588 Mg\n0.067969 0.732537 0.167589 Mg\n0.664566 0.732539 0.167592 Mg\n0.664569 0.932031 0.167592 Mg\n0.267461 0.932028 0.167590 Mg\n0.067872 0.135752 0.169460 Mg\n0.067881 0.932123 0.169462 Mg\n0.864248 0.932128 0.169461 Mg\n0.399632 0.199818 0.332833 Mg\n0.800185 0.199814 0.332830 Mg\n0.800184 0.600372 0.332834 Mg\n0.599949 0.199892 0.332703 Mg\n0.599946 0.400054 0.332705 Mg\n0.800106 0.400051 0.332705 Mg\n0.200559 0.000028 0.333456 Mg\n0.799471 0.000031 0.333457 Mg\n0.200559 0.200531 0.333458 Mg\n0.999967 0.200525 0.333454 Mg\n0.999970 0.799442 0.333453 Mg\n0.799474 0.799446 0.333456 Mg\n0.599753 0.000159 0.333699 Mg\n0.400404 0.000158 0.333705 Mg\n0.999838 0.400245 0.333701 Mg\n0.400409 0.400246 0.333702 Mg\n0.999843 0.599593 0.333699 Mg\n0.599756 0.599595 0.333701 Mg\n0.400114 0.599884 0.333586 Mg\n0.199766 0.599882 0.333585 Mg\n0.400116 0.800229 0.333585 Mg\n0.200168 0.400336 0.334090 Mg\n0.599672 0.799835 0.334091 Mg\n0.200164 0.799835 0.334092 Mg\n0.000002 -0.000000 0.334762 Mg\n0.267066 0.133532 0.500000 Mg\n0.866468 0.133534 0.499998 Mg\n0.066783 0.133566 0.499998 Mg\n0.667111 0.134072 0.500001 Mg\n0.466959 0.134073 0.500001 Mg\n0.466965 0.332894 0.499999 Mg\n0.865932 0.332892 0.500000 Mg\n0.666669 0.333331 0.500002 Mg\n0.266689 0.333480 0.500002 Mg\n0.066793 0.333484 0.499996 Mg\n0.865930 0.533043 0.499999 Mg\n0.667112 0.533045 0.499999 Mg\n0.467020 0.532980 0.500000 Mg\n0.065964 0.532979 0.500001 Mg\n0.266749 0.533494 0.500000 Mg\n0.866466 0.732935 0.499998 Mg\n0.666518 0.733308 0.500003 Mg\n0.066790 0.733312 0.499997 Mg\n0.266745 0.733253 0.499999 Mg\n0.466508 0.733255 0.499999 Mg\n0.066787 0.933219 0.500000 Mg\n0.866428 0.933214 0.500001 Mg\n0.266688 0.933211 0.500005 Mg\n0.666519 0.933210 0.500000 Mg\n0.467017 0.934034 0.499999 Mg\n0.999999 0.999999 0.665238 Mg\n0.200164 0.400330 0.665910 Mg\n0.599669 0.799838 0.665907 Mg\n0.200167 0.799835 0.665906 Mg\n0.400115 0.599884 0.666413 Mg\n0.199769 0.599885 0.666410 Mg\n0.400120 0.800234 0.666416 Mg\n0.599756 0.000162 0.666300 Mg\n0.400406 0.000161 0.666297 Mg\n0.999840 0.400245 0.666299 Mg\n0.400403 0.400247 0.666296 Mg\n0.999844 0.599592 0.666297 Mg\n0.599749 0.599592 0.666300 Mg\n0.200555 0.000025 0.666545 Mg\n0.799469 0.000030 0.666544 Mg\n0.200557 0.200531 0.666545 Mg\n0.999974 0.200533 0.666543 Mg\n0.999973 0.799441 0.666541 Mg\n0.799468 0.799439 0.666542 Mg\n0.599947 0.199892 0.667295 Mg\n0.599948 0.400055 0.667301 Mg\n0.800110 0.400058 0.667296 Mg\n0.399628 0.199816 0.667169 Mg\n0.800185 0.199813 0.667161 Mg\n0.800187 0.600377 0.667167 Mg\n0.067865 0.135747 0.830539 Mg\n0.067878 0.932118 0.830532 Mg\n0.864255 0.932133 0.830541 Mg\n0.067971 0.335433 0.832408 Mg\n0.267464 0.335435 0.832411 Mg\n0.067973 0.732536 0.832408 Mg\n0.664566 0.732542 0.832412 Mg\n0.664569 0.932030 0.832409 Mg\n0.267464 0.932029 0.832408 Mg\n0.267111 0.534222 0.832736 Mg\n0.267106 0.732888 0.832731 Mg\n0.465780 0.732890 0.832732 Mg\n0.466633 0.533361 0.832819 Mg\n0.066731 0.533361 0.832822 Mg\n0.466638 0.933272 0.832821 Mg\n0.667319 0.133019 0.833490 Mg\n0.465702 0.133017 0.833489 Mg\n0.866981 0.332680 0.833490 Mg\n0.465703 0.332684 0.833490 Mg\n0.866983 0.534296 0.833491 Mg\n0.667317 0.534294 0.833494 Mg\n0.666666 0.333329 0.833943 Mg\n0.867906 0.132088 0.835254 Mg\n0.264185 0.132092 0.835254 Mg\n0.867911 0.735820 0.835254 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ho",
"Mg"
],
"chemical_system": "Ho-Mg",
"density": 1.805769397868543,
"density_atomic": 0.04308050541258614,
"volume": 3481.853301474428,
"volume_molar": 13.978807124766481,
"formula_full": "Ho1 Mg149",
"formula_reduced": "HoMg149",
"formula_anonymous": "AB149",
"energy": -246.879873,
"energy_per_atom": -1.64586582,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -246.879873,
"band_gap": 0.2799,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001821,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.075000Z",
"spacegroup": 187
},
{
"id": "mp-8017",
"created_at": "2022-09-04T14:46:20.484841Z",
"structure_string": "Al2 Cu2 Te4\n1.0\n-3.042325 3.042325 6.046239\n3.042325 -3.042325 6.046239\n3.042325 3.042325 -6.046239\nAl Cu Te\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.375000 0.366213 0.491213 Te\n0.633787 0.125000 0.008787 Te\n0.116213 0.625000 0.991213 Te\n0.875000 0.883787 0.508787 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Te"
],
"chemical_system": "Al-Cu-Te",
"density": 5.129281725429765,
"density_atomic": 0.035738265668962696,
"volume": 223.8496986424188,
"volume_molar": 16.850679928852834,
"formula_full": "Al2 Cu2 Te4",
"formula_reduced": "AlCuTe2",
"formula_anonymous": "ABC2",
"energy": -32.66678639,
"energy_per_atom": -4.08334829875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -30.97878639,
"band_gap": 1.0186000000000002,
"is_gap_direct": true,
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"total_magnetization": 0.0004471,
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"updated_at": "2021-11-28T01:37:26.754000Z",
"spacegroup": 122
},
{
"id": "mp-1214246",
"created_at": "2022-09-04T14:46:20.466973Z",
"structure_string": "Bi12 Ir1 O20\n1.0\n-5.178037 5.178037 5.178037\n5.178037 -5.178037 5.178037\n5.178037 5.178037 -5.178037\nBi Ir O\n12 1 20\ndirect\n0.497394 0.335707 0.193860 Bi\n0.502606 0.696466 0.838313 Bi\n0.858153 0.664293 0.161687 Bi\n0.335707 0.193860 0.497394 Bi\n0.141847 0.303534 0.806140 Bi\n0.696466 0.838313 0.502606 Bi\n0.664293 0.161687 0.858153 Bi\n0.303534 0.806140 0.141847 Bi\n0.193860 0.497394 0.335707 Bi\n0.161687 0.858153 0.664293 Bi\n0.806140 0.141847 0.303534 Bi\n0.838313 0.502606 0.696466 Bi\n0.000000 0.000000 0.000000 Ir\n0.385763 0.385763 0.385763 O\n0.614237 0.000000 0.000000 O\n0.000000 0.614237 0.000000 O\n0.000000 0.000000 0.614237 O\n0.739228 0.620896 0.381404 O\n0.260772 0.642176 0.881668 O\n0.760508 0.379104 0.118332 O\n0.620896 0.381404 0.739228 O\n0.239492 0.357824 0.618596 O\n0.642176 0.881668 0.260772 O\n0.379104 0.118332 0.760508 O\n0.357824 0.618596 0.239492 O\n0.381404 0.739228 0.620896 O\n0.118332 0.760508 0.379104 O\n0.618596 0.239492 0.357824 O\n0.881668 0.260772 0.642176 O\n0.781571 0.781571 0.781571 O\n0.218429 0.000000 0.000000 O\n0.000000 0.218429 0.000000 O\n0.000000 0.000000 0.218429 O\n",
"nsites": 33,
"nelements": 3,
"elements": [
"Bi",
"Ir",
"O"
],
"chemical_system": "Bi-Ir-O",
"density": 9.030176895624908,
"density_atomic": 0.059423537290810534,
"volume": 555.3355034807603,
"volume_molar": 10.134268396929116,
"formula_full": "Bi12 Ir1 O20",
"formula_reduced": "Bi12IrO20",
"formula_anonymous": "AB12C20",
"energy": -204.43904587,
"energy_per_atom": -6.195122602121212,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -190.69904587,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.9988031,
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"updated_at": "2021-11-28T01:37:28.127000Z",
"spacegroup": 197
},
{
"id": "mp-1517545",
"created_at": "2022-09-04T14:46:20.468444Z",
"structure_string": "Sm1 Eu1 Hf4 O12\n1.0\n0.000000 -4.013518 -4.045668\n0.000000 -4.013518 4.045668\n-8.120312 0.000000 0.000000\nSm Eu Hf O\n1 1 4 12\ndirect\n0.968296 0.031704 -0.000000 Sm\n0.513967 0.486033 0.500000 Eu\n0.488342 0.989750 0.250090 Hf\n0.488342 0.989750 0.749910 Hf\n0.010250 0.511658 0.749910 Hf\n0.010250 0.511658 0.250090 Hf\n0.303500 0.299345 0.270929 O\n0.700655 0.696500 0.270929 O\n0.700655 0.696500 0.729071 O\n0.303500 0.299345 0.729071 O\n0.183795 0.816205 0.189141 O\n0.780817 0.219183 0.279828 O\n0.780817 0.219183 0.720172 O\n0.183795 0.816205 0.810859 O\n0.574883 0.009871 -0.000000 O\n0.459768 0.936357 0.500000 O\n0.990129 0.425117 -0.000000 O\n0.063643 0.540232 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sm",
"Eu",
"Hf",
"O"
],
"chemical_system": "Eu-Hf-O-Sm",
"density": 7.608470603845329,
"density_atomic": 0.06825812241774672,
"volume": 263.704880275466,
"volume_molar": 8.822599489543354,
"formula_full": "Sm1 Eu1 Hf4 O12",
"formula_reduced": "SmEuHf4O12",
"formula_anonymous": "ABC4D12",
"energy": -177.35330695,
"energy_per_atom": -9.852961497222221,
"energy_above_hull": null,
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"energy_uncorrected": -169.10930695,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.451000Z",
"spacegroup": 38
},
{
"id": "mp-915377",
"created_at": "2022-09-04T14:46:20.488705Z",
"structure_string": "Ba12 Pr3 Ru9 O36\n1.0\n5.987516 0.000405 0.124030\n2.989825 5.187609 0.124030\n0.205270 0.118626 30.179061\nBa Pr Ru O\n12 3 9 36\ndirect\n0.996543 0.996543 0.720325 Ba\n0.003457 0.003457 0.279675 Ba\n0.000100 0.000100 0.130621 Ba\n0.999900 0.999900 0.869379 Ba\n0.338607 0.338607 0.613127 Ba\n0.661393 0.661393 0.386873 Ba\n0.332839 0.332839 0.202809 Ba\n0.666634 0.666634 0.536000 Ba\n0.329450 0.329450 0.053810 Ba\n0.333366 0.333366 0.464000 Ba\n0.670550 0.670550 0.946190 Ba\n0.667161 0.667161 0.797191 Ba\n0.332142 0.332142 0.333242 Pr\n0.667858 0.667858 0.666758 Pr\n0.000000 0.000000 0.000000 Pr\n0.658146 0.658146 0.081839 Ru\n0.333740 0.333740 0.833244 Ru\n0.989766 0.989766 0.415142 Ru\n0.666260 0.666260 0.166756 Ru\n0.010234 0.010234 0.584858 Ru\n0.000000 0.000000 0.500000 Ru\n0.341854 0.341854 0.918161 Ru\n0.674751 0.674751 0.251518 Ru\n0.325249 0.325249 0.748482 Ru\n0.158707 0.158707 0.537166 O\n0.509250 0.972226 0.123655 O\n0.864641 0.864641 0.626499 O\n0.490750 0.027774 0.876345 O\n0.175543 0.175543 0.795633 O\n0.005206 0.474714 0.716158 O\n0.525286 0.994794 0.283842 O\n0.661246 0.192150 0.950422 O\n0.639699 0.176841 0.790114 O\n0.472427 0.472427 0.707106 O\n0.176841 0.639699 0.790114 O\n0.805507 0.805507 0.041010 O\n0.330961 0.861764 0.616652 O\n0.823159 0.360301 0.209886 O\n0.527573 0.527573 0.292894 O\n0.694746 0.158080 0.543324 O\n0.841920 0.305254 0.456676 O\n0.994794 0.525286 0.283842 O\n0.138237 0.669039 0.383348 O\n0.194493 0.194493 0.958990 O\n0.027774 0.490750 0.876345 O\n0.972226 0.509250 0.123655 O\n0.508142 0.508142 0.129071 O\n0.338754 0.807850 0.049578 O\n0.360301 0.823159 0.209886 O\n0.158080 0.694746 0.543324 O\n0.861764 0.330961 0.616652 O\n0.135359 0.135359 0.373501 O\n0.474714 0.005206 0.716158 O\n0.192150 0.661246 0.950422 O\n0.824457 0.824457 0.204367 O\n0.807850 0.338754 0.049578 O\n0.491858 0.491858 0.870929 O\n0.669039 0.138237 0.383348 O\n0.841293 0.841293 0.462834 O\n0.305254 0.841920 0.456676 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
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"Pr",
"Ru",
"O"
],
"chemical_system": "Ba-O-Pr-Ru",
"density": 6.301166441194709,
"density_atomic": 0.06402213711820716,
"volume": 937.175837932731,
"volume_molar": 9.406341354836423,
"formula_full": "Ba12 Pr3 Ru9 O36",
"formula_reduced": "Ba4Pr(RuO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -446.92226161,
"energy_per_atom": -7.448704360166667,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -422.19026161,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 12.9834373,
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"updated_at": "2021-11-28T01:37:28.763000Z",
"spacegroup": 12
},
{
"id": "mp-781050",
"created_at": "2022-09-04T14:46:20.491341Z",
"structure_string": "Li4 Cr1 Sb1 Te2 O12\n1.0\n5.165491 0.000000 0.000000\n-0.003401 5.410813 0.000000\n-0.000890 -0.473276 7.466934\nLi Cr Sb Te O\n4 1 1 2 12\ndirect\n0.002173 0.577325 0.734417 Li\n0.496709 0.060540 0.196284 Li\n0.996339 0.585120 0.194620 Li\n0.504303 0.031471 0.748613 Li\n0.999539 0.008534 0.999105 Cr\n0.500819 0.500970 0.496505 Sb\n0.999965 0.003659 0.498671 Te\n0.500038 0.501213 0.998983 Te\n0.306108 0.809414 0.577850 O\n0.126988 0.986597 0.260089 O\n0.326713 0.187156 0.951447 O\n0.186205 0.308361 0.577268 O\n0.795018 0.312083 0.070183 O\n0.362866 0.487595 0.250146 O\n0.632901 0.482543 0.748403 O\n0.189496 0.677136 0.949983 O\n0.828404 0.678278 0.436538 O\n0.690175 0.797328 0.065001 O\n0.877391 0.975147 0.739251 O\n0.677852 0.171931 0.435443 O\n",
"nsites": 20,
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"elements": [
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"Cr",
"Sb",
"Te",
"O"
],
"chemical_system": "Cr-Li-O-Sb-Te",
"density": 5.161609975490951,
"density_atomic": 0.09583266135564315,
"volume": 208.6971155457981,
"volume_molar": 6.284017030113903,
"formula_full": "Li4 Cr1 Sb1 Te2 O12",
"formula_reduced": "Li4CrSb(TeO6)2",
"formula_anonymous": "ABC2D4E12",
"energy": -126.2928827,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:25.489000Z",
"spacegroup": 1
},
{
"id": "mp-1110926",
"created_at": "2022-09-04T14:46:20.609504Z",
"structure_string": "K3 Nd1 Br6\n1.0\n0.000000 6.012580 6.012580\n6.012580 0.000000 6.012580\n6.012580 6.012580 0.000000\nK Nd Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Nd\n0.760483 0.239516 0.239516 Br\n0.239516 0.239516 0.760484 Br\n0.239516 0.760483 0.760484 Br\n0.239516 0.760483 0.239516 Br\n0.760483 0.239516 0.760484 Br\n0.760483 0.760484 0.239516 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Nd",
"Br"
],
"chemical_system": "Br-K-Nd",
"density": 2.830295554751688,
"density_atomic": 0.023003154726527603,
"volume": 434.72298121213095,
"volume_molar": 26.17962984466288,
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