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{
"id": "mp-1198719",
"created_at": "2022-09-04T14:39:42.143018Z",
"structure_string": "K6 Al10 P16 H84 O100\n1.0\n-4.385923 -7.596642 0.000000\n-8.771846 0.000000 0.000000\n-4.385923 -2.532214 -32.012200\nK Al P H O\n6 10 16 84 100\ndirect\n0.750000 0.172439 0.750000 K\n0.327561 0.750000 0.750000 K\n0.172439 0.327561 0.750000 K\n0.672439 0.250000 0.250000 K\n0.827561 0.672439 0.250000 K\n0.250000 0.827561 0.250000 K\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.048877 0.048877 0.853368 Al\n0.548877 0.548877 0.353368 Al\n0.951123 0.951123 0.146632 Al\n0.451123 0.451123 0.646632 Al\n0.702702 0.702702 0.891895 Al\n0.202702 0.202702 0.391895 Al\n0.297298 0.297298 0.108105 Al\n0.797298 0.797298 0.608105 Al\n0.775351 0.443739 0.819324 P\n0.961585 0.775351 0.819324 P\n0.443739 0.961585 0.819324 P\n0.943739 0.275351 0.319324 P\n0.461585 0.943739 0.319324 P\n0.275351 0.461585 0.319324 P\n0.224649 0.556261 0.180676 P\n0.038415 0.224649 0.180676 P\n0.556261 0.038415 0.180676 P\n0.056261 0.724649 0.680676 P\n0.538415 0.056261 0.680676 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"nsites": 216,
"nelements": 5,
"elements": [
"K",
"Al",
"P",
"H",
"O"
],
"chemical_system": "Al-H-K-O-P",
"density": 2.089773720329489,
"density_atomic": 0.10125711999331426,
"volume": 2133.1833259158657,
"volume_molar": 5.9473751183103225,
"formula_full": "K6 Al10 P16 H84 O100",
"formula_reduced": "K3Al5P8(H21O25)2",
"formula_anonymous": "A3B5C8D42E50",
"energy": -1340.12799513,
"energy_per_atom": -6.20429627375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1271.42799513,
"band_gap": 5.0504,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0606718,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.398000Z",
"spacegroup": 167
},
{
"id": "mp-1197528",
"created_at": "2022-09-04T14:48:21.510204Z",
"structure_string": "Li16 Si8 H144 C48 N32\n1.0\n10.213995 6.650486 0.000000\n-10.213995 6.650486 0.000000\n0.094410 -6.650486 18.648654\nLi Si H C N\n16 8 144 48 32\ndirect\n0.497599 0.928302 0.265002 Li\n0.663300 0.732597 0.234998 Li\n0.502401 0.071698 0.734998 Li\n0.336700 0.267403 0.765002 Li\n0.889601 0.139601 0.250000 Li\n0.110399 0.860399 0.750000 Li\n0.422706 0.672706 0.250000 Li\n0.577294 0.327294 0.750000 Li\n0.684961 0.983490 0.355343 Li\n0.628147 0.829618 0.144657 Li\n0.315039 0.016510 0.644657 Li\n0.371853 0.170382 0.855343 Li\n0.628762 0.026090 0.192638 Li\n0.833452 0.936124 0.307362 Li\n0.371238 0.973910 0.807362 Li\n0.166548 0.063876 0.692638 Li\n0.787391 0.210811 0.341101 Si\n0.869710 0.946289 0.158899 Si\n0.212609 0.789189 0.658899 Si\n0.130290 0.053711 0.841101 Si\n0.383882 0.709876 0.126432 Si\n0.583443 0.757449 0.373568 Si\n0.616118 0.290124 0.873568 Si\n0.416557 0.242551 0.626433 Si\n0.998430 0.498105 0.344194 H\n0.153911 0.154236 0.155806 H\n0.001570 0.501895 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"nelements": 6,
"elements": [
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"density_atomic": 0.09357259936327778,
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"formula_full": "Ta8 H144 C48 N24 Cl8 O4",
"formula_reduced": "Ta2H36C12N6Cl2O",
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"updated_at": "2021-11-28T01:35:34.145000Z",
"spacegroup": 14
},
{
"id": "mp-685339",
"created_at": "2022-09-04T14:43:50.056167Z",
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"elements": [
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"chemical_system": "Bi-Ir-O",
"density": 10.763148356218336,
"density_atomic": 0.07701741398429877,
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"volume_molar": 7.819193671223119,
"formula_full": "Bi36 Ir36 O123",
"formula_reduced": "Bi12Ir12O41",
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"energy": -1347.38475533,
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"updated_at": "2021-11-28T01:36:22.453000Z",
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},
{
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},
{
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F\n0.156932 0.767307 0.133079 F\n0.424239 0.633079 0.232693 F\n0.790012 0.866921 0.267307 F\n0.267233 0.434004 0.679170 F\n0.880407 0.065996 0.820830 F\n0.446403 0.320830 0.934004 F\n0.201238 0.179170 0.565996 F\n0.732767 0.565996 0.320830 F\n0.119593 0.934004 0.179170 F\n0.553597 0.679170 0.065996 F\n0.798762 0.820830 0.434004 F\n0.542484 0.337032 0.469067 F\n0.848583 0.162968 0.030933 F\n0.511551 0.530933 0.837032 F\n0.379516 0.969067 0.662968 F\n0.457516 0.662968 0.530933 F\n0.151417 0.837032 0.969067 F\n0.488449 0.469067 0.162968 F\n0.620484 0.030933 0.337032 F\n0.345516 0.340477 0.527104 F\n0.713097 0.159523 0.972896 F\n0.372620 0.472896 0.840477 F\n0.185993 0.027104 0.659523 F\n0.654484 0.659523 0.472896 F\n0.286903 0.840477 0.027104 F\n0.627380 0.527104 0.159523 F\n0.814007 0.972896 0.340477 F\n0.481009 0.407212 0.629139 F\n0.017361 0.092788 0.870861 F\n0.610148 0.370861 0.907212 F\n0.388221 0.129139 0.592788 F\n0.518991 0.592788 0.370861 F\n0.982639 0.907212 0.129139 F\n0.389852 0.629139 0.092788 F\n0.611779 0.870861 0.407212 F\n0.878782 0.480515 0.486553 F\n0.345850 0.019485 0.013447 F\n0.865335 0.513447 0.980515 F\n0.859297 0.986553 0.519485 F\n0.121218 0.519485 0.513447 F\n0.654150 0.980515 0.986553 F\n0.134665 0.486553 0.019485 F\n0.140704 0.013447 0.480515 F\n0.825340 0.362563 0.723287 F\n0.411189 0.137437 0.776713 F\n0.048626 0.276714 0.862563 F\n0.687902 0.223286 0.637437 F\n0.174660 0.637437 0.276714 F\n0.588811 0.862563 0.223286 F\n0.951374 0.723287 0.137437 F\n0.312098 0.776713 0.362563 F\n0.704256 0.500558 0.649833 F\n0.354647 0.999442 0.850167 F\n0.854089 0.350167 0.000558 F\n0.704814 0.149833 0.499442 F\n0.295744 0.499442 0.350167 F\n0.645353 0.000558 0.149833 F\n0.145911 0.649833 0.999442 F\n0.295186 0.850167 0.500558 F\n0.004612 0.331600 0.563133 F\n0.399345 0.168400 0.936867 F\n0.067745 0.436867 0.831600 F\n0.836212 0.063133 0.668400 F\n0.995388 0.668400 0.436867 F\n0.600655 0.831600 0.063133 F\n0.932255 0.563133 0.168400 F\n0.163788 0.936867 0.331600 F\n0.827878 0.328790 0.568784 F\n0.225452 0.171210 0.931216 F\n0.896662 0.431216 0.828790 F\n0.656668 0.068784 0.671210 F\n0.172122 0.671210 0.431216 F\n0.774548 0.828790 0.068784 F\n0.103338 0.568784 0.171210 F\n0.343332 0.931216 0.328790 F\n0.880503 0.501691 0.642613 F\n0.524806 0.998309 0.857387 F\n0.023115 0.357387 0.001691 F\n0.882194 0.142613 0.498309 F\n0.119497 0.498309 0.357387 F\n0.475194 0.001691 0.142613 F\n0.976885 0.642613 0.998309 F\n0.117806 0.857387 0.501691 F\n",
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"elements": [
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],
"chemical_system": "Ba-Cr-F",
"density": 4.581003265354258,
"density_atomic": 0.060550135426642095,
"volume": 3435.1698560938294,
"volume_molar": 9.945709811493261,
"formula_full": "Ba40 Cr24 F144",
"formula_reduced": "Ba5Cr3F18",
"formula_anonymous": "A3B5C18",
"energy": -1351.90093061,
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"energy_uncorrected": -1237.39693061,
"band_gap": 1.4566,
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"is_magnetic": true,
"total_magnetization": 80.0000227,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.562000Z",
"spacegroup": 88
},
{
"id": "mp-685698",
"created_at": "2022-09-04T14:43:47.988224Z",
"structure_string": "Re32 Pb32 O108\n1.0\n6.483094 -0.000015 3.743017\n2.161012 6.112275 3.743026\n0.011335 0.008101 59.868646\nRe Pb O\n32 32 108\ndirect\n0.500628 0.500606 0.999765 Re\n0.500253 0.500224 0.062459 Re\n0.499723 0.499725 0.125101 Re\n0.499487 0.000098 0.187616 Re\n0.500224 0.999876 0.062459 Re\n0.999855 0.500215 0.062461 Re\n0.499475 0.499468 0.187618 Re\n0.500231 -0.000098 0.312456 Re\n0.500076 0.500032 0.249982 Re\n0.000102 0.499476 0.187619 Re\n0.500211 0.500229 0.312457 Re\n0.500000 0.500027 0.374994 Re\n-0.000094 0.500225 0.312455 Re\n0.498448 0.498433 0.437989 Re\n0.498452 0.999208 0.437989 Re\n0.499776 -0.000540 0.562622 Re\n0.499380 0.499369 0.500231 Re\n0.999191 0.498452 0.437990 Re\n0.499785 0.499778 0.562622 Re\n0.500058 0.500057 0.624981 Re\n-0.000544 0.499778 0.562622 Re\n0.500097 0.500107 0.687494 Re\n0.499887 -0.000055 0.812532 Re\n0.499836 0.499872 0.750052 Re\n0.500098 -0.000143 0.687491 Re\n-0.000140 0.500095 0.687493 Re\n0.499893 0.499913 0.812530 Re\n0.500382 0.500353 0.874861 Re\n0.501436 0.000848 0.937036 Re\n-0.000042 0.499897 0.812531 Re\n0.501410 0.501419 0.937041 Re\n0.000843 0.501427 0.937040 Re\n0.001097 0.001115 0.000305 Pb\n0.001112 0.495363 0.000303 Pb\n0.495335 0.001123 0.000305 Pb\n0.001985 0.002015 0.125309 Pb\n0.001566 0.001634 0.061899 Pb\n0.493505 0.002024 0.125307 Pb\n0.002169 0.002124 0.250231 Pb\n0.493875 0.002139 0.250229 Pb\n0.002315 0.002336 0.186625 Pb\n0.002000 0.493515 0.125308 Pb\n0.006336 0.006355 0.435124 Pb\n0.494995 -0.000155 0.375662 Pb\n-0.002424 -0.002420 0.500546 Pb\n0.002121 0.002129 0.311699 Pb\n0.002148 0.493903 0.250228 Pb\n0.998539 0.998558 0.563047 Pb\n-0.002400 0.500460 0.500548 Pb\n-0.000164 -0.000146 0.375666 Pb\n0.500450 -0.002397 0.500549 Pb\n-0.000157 0.495001 0.375663 Pb\n0.499749 0.000115 0.624997 Pb\n0.000674 0.000558 0.812269 Pb\n0.000172 0.000148 0.624996 Pb\n0.500238 0.999755 0.750052 Pb\n0.001662 0.001668 0.874404 Pb\n0.000142 0.499765 0.624994 Pb\n0.999830 0.999485 0.750033 Pb\n0.501428 0.001662 0.874401 Pb\n0.999690 0.500351 0.750033 Pb\n0.999892 0.999734 0.687584 Pb\n0.001684 0.501462 0.874401 Pb\n0.001068 0.001072 0.937100 Pb\n0.183730 0.566787 0.022837 O\n0.183172 0.183176 0.070738 O\n0.566772 0.183732 0.022838 O\n0.183167 0.567751 0.070739 O\n0.566785 0.566776 0.022838 O\n0.567750 0.183173 0.070738 O\n0.433676 0.433675 0.102022 O\n0.433800 0.813893 0.054802 O\n0.183244 0.183242 0.195844 O\n0.181728 0.567839 0.147824 O\n0.813893 0.433782 0.054803 O\n0.433678 0.816477 0.102021 O\n0.183243 0.566775 0.195842 O\n0.567848 0.181730 0.147822 O\n0.816481 0.433670 0.102023 O\n0.813888 0.813897 0.054803 O\n0.566792 0.183223 0.195845 O\n0.567849 0.567834 0.147823 O\n0.435669 0.435685 0.226808 O\n0.182577 0.182569 0.320856 O\n0.434715 0.815883 0.179191 O\n0.183399 0.566570 0.272934 O\n0.815875 0.434736 0.179190 O\n0.875525 0.875529 0.109175 O\n0.435674 0.814178 0.226809 O\n0.566535 0.183415 0.272938 O\n0.182557 0.568021 0.320858 O\n0.814162 0.435700 0.226804 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O\n0.559138 0.189960 0.898972 O\n0.437212 0.814744 0.851353 O\n0.814734 0.814733 0.804224 O\n0.564064 0.181164 0.946701 O\n0.814744 0.437223 0.851350 O\n0.559142 0.559159 0.898970 O\n0.434449 0.434424 0.976857 O\n0.437758 0.811518 0.929900 O\n0.811537 0.437732 0.929899 O\n0.873731 0.873727 0.859853 O\n0.434454 0.816253 0.976855 O\n0.816263 0.434436 0.976857 O\n0.811527 0.811529 0.929899 O\n0.857087 0.857100 0.991091 O\n",
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"elements": [
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],
"chemical_system": "O-Pb-Re",
"density": 10.022737575764747,
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"volume": 2371.993668077686,
"volume_molar": 8.304930087786364,
"formula_full": "Re32 Pb32 O108",
"formula_reduced": "Re8Pb8O27",
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"energy": -1351.91570083,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:18.862000Z",
"spacegroup": 160
},
{
"id": "mp-1204230",
"created_at": "2022-09-04T14:39:48.728886Z",
"structure_string": "Sr64 Ga32 O112\n1.0\n13.180000 0.000000 -0.157675\n0.000000 15.929532 0.000000\n-0.011654 0.000000 16.000319\nSr Ga O\n64 32 112\ndirect\n0.430606 0.128934 0.329416 Sr\n0.430606 0.871066 0.829416 Sr\n0.446741 0.126888 0.083695 Sr\n0.446741 0.873112 0.583695 Sr\n0.599719 0.988087 0.218245 Sr\n0.599719 0.011913 0.718245 Sr\n0.749331 0.115270 0.082694 Sr\n0.749331 0.884730 0.582694 Sr\n0.758189 0.357495 0.054112 Sr\n0.758189 0.642505 0.554112 Sr\n0.141668 0.109087 0.081145 Sr\n0.141668 0.890913 0.581145 Sr\n0.443186 0.370448 0.332904 Sr\n0.443186 0.629552 0.832904 Sr\n0.102355 0.122928 0.332100 Sr\n0.102355 0.877072 0.832100 Sr\n0.432111 0.384368 0.819853 Sr\n0.432111 0.615632 0.319853 Sr\n0.592646 0.479048 0.202603 Sr\n0.592646 0.520952 0.702603 Sr\n0.084438 0.348821 0.324737 Sr\n0.084438 0.651179 0.824737 Sr\n0.770926 0.620963 0.085923 Sr\n0.770926 0.379037 0.585923 Sr\n0.777932 0.336678 0.333548 Sr\n0.777932 0.663322 0.833548 Sr\n0.937819 0.497390 0.954597 Sr\n0.937819 0.502610 0.454597 Sr\n0.755408 0.402141 0.821788 Sr\n0.755408 0.597859 0.321788 Sr\n0.258590 0.252249 0.942882 Sr\n0.258590 0.747751 0.442882 Sr\n0.749923 0.172505 0.858352 Sr\n0.749923 0.827495 0.358352 Sr\n0.131993 0.370991 0.096773 Sr\n0.131993 0.629009 0.596773 Sr\n0.942651 0.233972 0.153025 Sr\n0.942651 0.766028 0.653025 Sr\n0.947173 0.256927 0.726636 Sr\n0.947173 0.743073 0.226636 Sr\n0.453340 0.869553 0.073309 Sr\n0.453340 0.130447 0.573309 Sr\n0.461041 0.625591 0.075401 Sr\n0.461041 0.374409 0.575401 Sr\n0.089340 0.366789 0.569543 Sr\n0.089340 0.633211 0.069543 Sr\n0.286713 0.252751 0.462039 Sr\n0.286713 0.747249 0.962039 Sr\n0.773240 0.880869 0.059959 Sr\n0.773240 0.119131 0.559959 Sr\n0.114496 0.103651 0.785589 Sr\n0.114496 0.896349 0.285589 Sr\n0.097630 0.432052 0.807531 Sr\n0.097630 0.567948 0.307531 Sr\n0.088206 0.879683 0.063548 Sr\n0.088206 0.120317 0.563548 Sr\n0.429451 0.125349 0.835818 Sr\n0.429451 0.874651 0.335818 Sr\n0.808278 0.888761 0.827225 Sr\n0.808278 0.111239 0.327225 Sr\n0.418469 0.383544 0.058772 Sr\n0.418469 0.616456 0.558772 Sr\n0.943815 0.037732 0.943500 Sr\n0.943815 0.962268 0.443500 Sr\n0.620846 0.245812 0.194052 Ga\n0.620846 0.754188 0.694052 Ga\n0.617432 0.017901 0.951389 Ga\n0.617432 0.982099 0.451389 Ga\n0.575496 0.254109 0.967603 Ga\n0.575496 0.745891 0.467603 Ga\n0.253854 0.265126 0.698289 Ga\n0.253854 0.734874 0.198289 Ga\n0.261142 0.000100 0.441413 Ga\n0.261142 -0.000100 0.941413 Ga\n0.963297 0.255414 0.940790 Ga\n0.963297 0.744586 0.440790 Ga\n0.250198 0.512417 0.962964 Ga\n0.250198 0.487583 0.462964 Ga\n0.274803 0.506707 0.192349 Ga\n0.274803 0.493293 0.692349 Ga\n0.912127 0.479626 0.193891 Ga\n0.912127 0.520374 0.693891 Ga\n0.919790 0.995904 0.189052 Ga\n0.919790 0.004096 0.689052 Ga\n0.611370 0.251663 0.466734 Ga\n0.611370 0.748337 0.966734 Ga\n0.261634 0.234830 0.204738 Ga\n0.261634 0.765170 0.704738 Ga\n0.627822 0.743726 0.198732 Ga\n0.627822 0.256273 0.698732 Ga\n0.291730 0.006712 0.207602 Ga\n0.291730 0.993288 0.707602 Ga\n0.952608 0.763425 0.940518 Ga\n0.952608 0.236575 0.440518 Ga\n0.621036 0.514552 0.955670 Ga\n0.621036 0.485448 0.455670 Ga\n0.763009 0.233518 0.189708 O\n0.763009 0.766482 0.689708 O\n0.602093 0.335758 0.263089 O\n0.602093 0.664242 0.763089 O\n0.559497 0.142632 0.208408 O\n0.559497 0.857368 0.708408 O\n0.577060 0.284264 0.083541 O\n0.577060 0.715736 0.583541 O\n0.759982 0.488302 0.961084 O\n0.759982 0.511698 0.461084 O\n0.118564 0.230218 0.208294 O\n0.118564 0.769782 0.708294 O\n0.120553 0.002621 0.957389 O\n0.120553 0.997379 0.457389 O\n0.597846 0.137212 0.972035 O\n0.597846 0.862788 0.472035 O\n0.600717 0.978135 0.059168 O\n0.600717 0.021865 0.559168 O\n0.270453 0.205307 0.797075 O\n0.270453 0.794693 0.297075 O\n0.533994 0.992365 0.864206 O\n0.533994 0.007635 0.364206 O\n0.100276 0.757835 0.950581 O\n0.100276 0.242165 0.450581 O\n0.082797 0.246650 0.005339 O\n0.082797 0.753350 0.505339 O\n0.445353 0.272932 0.931277 O\n0.445353 0.727068 0.431277 O\n0.170435 0.444461 0.236840 O\n0.170435 0.555539 0.736840 O\n0.951735 0.075495 0.104208 O\n0.951735 0.924505 0.604208 O\n0.974756 0.024095 0.294491 O\n0.974756 0.975905 0.794491 O\n0.264334 0.002560 0.322675 O\n0.264334 0.997440 0.822675 O\n0.305002 0.122359 0.184646 O\n0.305002 0.877641 0.684646 O\n0.946641 0.357752 0.881028 O\n0.946641 0.642248 0.381028 O\n0.417223 0.964862 0.188580 O\n0.417223 0.035138 0.688580 O\n0.959057 0.171963 0.855835 O\n0.959057 0.828037 0.355835 O\n0.119156 0.243855 0.663124 O\n0.119156 0.756145 0.163124 O\n0.311316 0.258875 0.308885 O\n0.311316 0.741125 0.808885 O\n0.767599 0.721536 0.219105 O\n0.767599 0.278464 0.719105 O\n0.932595 0.759636 0.823187 O\n0.932595 0.240364 0.323187 O\n0.777830 0.010670 0.196707 O\n0.777830 0.989330 0.696707 O\n0.971063 0.586406 0.173870 O\n0.971063 0.413594 0.673870 O\n0.114484 0.538035 0.936440 O\n0.114484 0.461965 0.436440 O\n0.926622 0.875204 0.967162 O\n0.926622 0.124796 0.467162 O\n0.407140 0.476356 0.209269 O\n0.407140 0.523644 0.709269 O\n0.852665 0.225414 0.008789 O\n0.852665 0.774586 0.508789 O\n0.722986 0.205803 0.420173 O\n0.722986 0.794197 0.920173 O\n0.680575 0.304486 0.915084 O\n0.680575 0.695514 0.415084 O\n0.936268 0.450283 0.306585 O\n0.936268 0.549717 0.806585 O\n0.770799 0.497180 0.184993 O\n0.770799 0.502820 0.684993 O\n0.565120 0.639693 0.206595 O\n0.565120 0.360307 0.706595 O\n0.477250 0.234189 0.440443 O\n0.477250 0.765811 0.940443 O\n0.346186 0.255354 0.612700 O\n0.346186 0.744646 0.112700 O\n0.944326 0.398483 0.111547 O\n0.944326 0.601517 0.611547 O\n0.943441 0.884254 0.160824 O\n0.943441 0.115746 0.660824 O\n0.312735 0.898149 0.477941 O\n0.312735 0.101851 0.977941 O\n0.295565 0.282548 0.103548 O\n0.295565 0.717452 0.603548 O\n0.624279 0.777794 0.083702 O\n0.624279 0.222206 0.583702 O\n0.255519 0.382060 0.731032 O\n0.255519 0.617940 0.231032 O\n0.564801 0.489186 0.853935 O\n0.564801 0.510814 0.353935 O\n0.591957 0.836062 0.261214 O\n0.591957 0.163938 0.761214 O\n0.341977 0.598047 0.954555 O\n0.341977 0.401953 0.454555 O\n0.283967 0.405655 0.928320 O\n0.283967 0.594345 0.428320 O\n0.555658 0.484746 0.052344 O\n0.555658 0.515254 0.552344 O\n0.236701 0.499841 0.080075 O\n0.236701 0.500159 0.580075 O\n0.170424 0.975233 0.160880 O\n0.170424 0.024767 0.660880 O\n0.630455 0.632299 0.973231 O\n0.630455 0.367701 0.473231 O\n0.758708 0.019571 0.933251 O\n0.758708 0.980429 0.433251 O\n0.911896 0.664823 0.994084 O\n0.911896 0.335177 0.494084 O\n0.314250 0.102225 0.470359 O\n0.314250 0.897775 0.970359 O\n",
"nsites": 208,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"O"
],
"chemical_system": "Ga-O-Sr",
"density": 4.760645781069295,
"density_atomic": 0.06191844640883417,
"volume": 3359.2574113798137,
"volume_molar": 9.725923548270416,
"formula_full": "Sr64 Ga32 O112",
"formula_reduced": "Sr4Ga2O7",
"formula_anonymous": "A2B4C7",
"energy": -1352.44487413,
"energy_per_atom": -6.502138817932693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1275.50087413,
"band_gap": 2.9684000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.295000Z",
"spacegroup": 7
}
]
}