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{
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"results": [
{
"id": "mp-715574",
"created_at": "2022-09-04T14:40:29.291042Z",
"structure_string": "Mo4 O12\n1.0\n5.281016 0.000000 0.000000\n0.000000 5.308104 0.000000\n0.000000 1.280282 10.398211\nMo O\n4 12\ndirect\n0.253236 0.086478 0.040115 Mo\n0.746764 0.586478 0.040115 Mo\n0.756159 0.185412 0.541123 Mo\n0.243841 0.685412 0.541123 Mo\n0.483386 0.975160 0.510256 O\n0.516614 0.475160 0.510256 O\n0.502165 0.330147 0.990928 O\n0.497835 0.830147 0.990928 O\n0.733213 0.550657 0.203961 O\n0.266787 0.050657 0.203961 O\n0.007303 0.459183 0.486680 O\n0.992697 0.959183 0.486680 O\n0.788192 0.143588 0.704091 O\n0.211808 0.643588 0.704091 O\n0.992183 0.320576 0.002045 O\n0.007817 0.820576 0.002045 O\n",
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"volume": 291.4845448242327,
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"formula_full": "Mo4 O12",
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"updated_at": "2021-11-28T01:35:02.428000Z",
"spacegroup": 7
},
{
"id": "mp-766497",
"created_at": "2022-09-04T14:40:29.164694Z",
"structure_string": "Li6 Fe6 B8 O24\n1.0\n9.067087 0.000000 0.000000\n0.000000 5.221590 0.000000\n0.000000 4.725351 9.924183\nLi Fe B O\n6 6 8 24\ndirect\n0.215744 0.505920 0.334936 Li\n0.227688 0.860540 0.915363 Li\n0.729864 0.103427 0.599255 Li\n0.784256 0.505920 0.834936 Li\n0.772312 0.860540 0.415363 Li\n0.270136 0.103427 0.099255 Li\n0.577186 0.974885 0.865095 Fe\n0.720502 0.463720 0.184087 Fe\n0.042211 0.031778 0.616919 Fe\n0.422814 0.974885 0.365095 Fe\n0.957789 0.031778 0.116919 Fe\n0.279498 0.463720 0.684087 Fe\n0.552527 0.444407 0.385861 B\n0.908361 0.982718 0.863493 B\n0.058968 0.565362 0.115744 B\n0.400512 0.019282 0.632466 B\n0.091639 0.982718 0.363493 B\n0.447473 0.444407 0.885861 B\n0.599488 0.019282 0.132466 B\n0.941032 0.565362 0.615744 B\n0.602794 0.798141 0.092523 O\n0.899520 0.335420 0.597263 O\n0.150942 0.783782 0.105564 O\n0.912321 0.611674 0.144422 O\n0.529020 0.110100 0.667573 O\n0.266195 0.144473 0.641185 O\n0.416016 0.340964 0.374130 O\n0.035531 0.910856 0.816298 O\n0.676343 0.291659 0.372784 O\n0.773381 0.866572 0.847313 O\n0.090558 0.164441 0.425132 O\n0.424949 0.687062 0.902255 O\n0.100480 0.335420 0.097263 O\n0.397206 0.798141 0.592523 O\n0.470980 0.110100 0.167573 O\n0.849058 0.783782 0.605564 O\n0.733805 0.144473 0.141185 O\n0.087679 0.611674 0.644422 O\n0.964469 0.910856 0.316298 O\n0.583984 0.340964 0.874130 O\n0.226619 0.866572 0.347313 O\n0.323657 0.291659 0.872784 O\n0.575051 0.687062 0.402255 O\n0.909442 0.164441 0.925132 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 2.9940868816831223,
"density_atomic": 0.09364559678700457,
"volume": 469.85658172564484,
"volume_molar": 6.4307783458279015,
"formula_full": "Li6 Fe6 B8 O24",
"formula_reduced": "Li3Fe3(BO3)4",
"formula_anonymous": "A3B3C4D12",
"energy": -336.44629842,
"energy_per_atom": -7.646506782272727,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -306.42229842,
"band_gap": 1.3764999999999998,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.793000Z",
"spacegroup": 7
},
{
"id": "mp-763255",
"created_at": "2022-09-04T14:40:29.803922Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n5.215037 0.000000 0.000000\n0.000000 5.088162 0.000000\n0.000000 5.028682 6.668995\nLi Co Si O\n2 2 2 8\ndirect\n0.328093 0.741584 0.758755 Li\n0.671907 0.741584 0.258755 Li\n0.679065 0.243095 0.761596 Co\n0.320935 0.243095 0.261596 Co\n0.811974 0.996576 0.508404 Si\n0.188026 0.996576 0.008404 Si\n0.878225 0.962266 0.992124 O\n0.342998 0.075681 0.812185 O\n0.689721 0.656654 0.707923 O\n0.751284 0.299925 0.523393 O\n0.121775 0.962266 0.492124 O\n0.657002 0.075681 0.312185 O\n0.310279 0.656654 0.207923 O\n0.248716 0.299925 0.023393 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.9644222547357555,
"density_atomic": 0.07911326708516525,
"volume": 176.9614694957425,
"volume_molar": 7.612049131427197,
"formula_full": "Li2 Co2 Si2 O8",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy": -101.10124214,
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"energy_uncorrected": -92.32924214,
"band_gap": 1.0854,
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"is_magnetic": true,
"total_magnetization": 7.9984485,
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"updated_at": "2021-11-28T01:34:49.275000Z",
"spacegroup": 7
},
{
"id": "mp-676932",
"created_at": "2022-09-04T14:40:30.513566Z",
"structure_string": "Sr2 Li2 Eu2 Te2 O12\n1.0\n5.808376 0.000000 0.000000\n0.000000 5.657582 0.000000\n0.000000 5.595457 7.861589\nSr Li Eu Te O\n2 2 2 2 12\ndirect\n0.292185 0.742453 0.249874 Sr\n0.707815 0.742453 0.749874 Sr\n0.254954 0.501103 0.999162 Li\n0.745046 0.501103 0.499162 Li\n0.807013 0.261436 0.247879 Eu\n0.192987 0.261436 0.747879 Eu\n0.747741 0.999968 0.000172 Te\n0.252259 0.999968 0.500172 Te\n0.780403 0.171366 0.758585 O\n0.018858 0.761723 0.041669 O\n0.051675 0.308214 0.464593 O\n0.566679 0.670011 0.047225 O\n0.533230 0.226536 0.451429 O\n0.271973 0.857191 0.739412 O\n0.219597 0.171366 0.258585 O\n0.981142 0.761723 0.541669 O\n0.948325 0.308214 0.964593 O\n0.433321 0.670011 0.547225 O\n0.466770 0.226536 0.951429 O\n0.728027 0.857191 0.239412 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Eu",
"Te",
"O"
],
"chemical_system": "Eu-Li-O-Sr-Te",
"density": 6.043565022371223,
"density_atomic": 0.07741659764798936,
"volume": 258.3425338703119,
"volume_molar": 7.778875516310428,
"formula_full": "Sr2 Li2 Eu2 Te2 O12",
"formula_reduced": "SrLiEuTeO6",
"formula_anonymous": "ABCDE6",
"energy": -144.03941163,
"energy_per_atom": -7.2019705814999995,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:02.337000Z",
"spacegroup": 7
},
{
"id": "mp-755816",
"created_at": "2022-09-04T14:40:30.736686Z",
"structure_string": "Na16 Mn4 O16\n1.0\n6.337886 0.020459 -0.000081\n0.026510 7.587907 -0.000239\n-0.000147 -0.000368 11.406362\nNa Mn O\n16 4 16\ndirect\n0.045058 0.665390 0.447145 Na\n0.045109 0.665463 0.947230 Na\n0.544916 0.165433 0.052798 Na\n0.545156 0.165420 0.552755 Na\n0.308625 0.726141 0.155628 Na\n0.308705 0.726159 0.655633 Na\n0.808647 0.226154 0.344405 Na\n0.808644 0.226184 0.844377 Na\n0.227539 0.315080 0.189342 Na\n0.227714 0.315134 0.689389 Na\n0.727574 0.815050 0.310651 Na\n0.727719 0.815159 0.810564 Na\n0.262164 0.001271 0.348669 Na\n0.262071 0.001391 0.848798 Na\n0.762137 0.501242 0.151330 Na\n0.762148 0.501315 0.651231 Na\n0.989947 0.996471 0.591100 Mn\n0.489897 0.496564 0.908869 Mn\n0.989534 0.996423 0.091270 Mn\n0.489765 0.496431 0.408797 Mn\n0.262492 0.025138 0.129240 O\n0.262863 0.025226 0.629234 O\n0.762681 0.525229 0.370709 O\n0.762848 0.525223 0.870768 O\n0.434531 0.476252 0.063369 O\n0.434376 0.476197 0.563262 O\n0.934543 0.976258 0.436578 O\n0.934139 0.976170 0.936863 O\n0.432987 0.269218 0.363163 O\n0.432938 0.269323 0.863203 O\n0.932864 0.769169 0.136882 O\n0.933070 0.769264 0.636751 O\n0.380144 0.704261 0.349845 O\n0.380428 0.704407 0.849819 O\n0.879537 0.204286 0.150174 O\n0.880418 0.204291 0.650155 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 2.5536779424943297,
"density_atomic": 0.06562870368929791,
"volume": 548.5404704995038,
"volume_molar": 9.176077571957334,
"formula_full": "Na16 Mn4 O16",
"formula_reduced": "Na4MnO4",
"formula_anonymous": "AB4C4",
"energy": -198.02056465,
"energy_per_atom": -5.500571240277778,
"energy_above_hull": null,
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"energy_uncorrected": -180.35656465,
"band_gap": 0.4715,
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"total_magnetization": 1.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.593000Z",
"spacegroup": 7
},
{
"id": "mp-1638967",
"created_at": "2022-09-04T14:40:31.306916Z",
"structure_string": "Li8 Co4 C8 O24\n1.0\n-4.263434 -0.153487 -4.806231\n0.086889 -7.949606 0.188946\n-8.558864 0.020338 4.576974\nLi Co C O\n8 4 8 24\ndirect\n0.582766 0.078112 0.180346 Li\n0.083131 0.078888 0.680532 Li\n0.832788 0.419782 0.430280 Li\n0.333490 0.419524 0.930456 Li\n0.031147 0.927161 0.375399 Li\n0.529670 0.928333 0.874318 Li\n0.778560 0.569690 0.123485 Li\n0.280233 0.569737 0.624429 Li\n0.763714 0.497944 0.754490 Co\n0.013930 0.000936 0.004830 Co\n0.262862 0.497509 0.254122 Co\n0.514227 0.000476 0.504114 Co\n0.509915 0.740238 0.361608 C\n0.010566 0.741542 0.861476 C\n0.259783 0.757412 0.111747 C\n0.759982 0.757451 0.611743 C\n0.241342 0.232849 0.396433 C\n0.741585 0.233309 0.896770 C\n0.990819 0.265767 0.146707 C\n0.491904 0.265435 0.646770 C\n0.404381 0.744529 0.492972 O\n0.904280 0.745521 0.992673 O\n0.153107 0.752747 0.242779 O\n0.653081 0.752792 0.742790 O\n0.589558 0.881654 0.305647 O\n0.090276 0.883006 0.805660 O\n0.339753 0.616190 0.055432 O\n0.840110 0.616316 0.555478 O\n0.213700 0.091043 0.466249 O\n0.713316 0.091307 0.966258 O\n0.961821 0.408006 0.215803 O\n0.463192 0.407420 0.716486 O\n0.541029 0.600516 0.290656 O\n0.041642 0.602084 0.790283 O\n0.291531 0.897314 0.041142 O\n0.791581 0.897330 0.541248 O\n0.148349 0.370466 0.452167 O\n0.649761 0.371257 0.952920 O\n0.899060 0.127480 0.202942 O\n0.400733 0.126972 0.702619 O\n0.357544 0.240822 0.268492 O\n0.857760 0.241205 0.768689 O\n0.107572 0.257905 0.018827 O\n0.607572 0.258020 0.518587 O\n",
"nsites": 44,
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"elements": [
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"Co",
"C",
"O"
],
"chemical_system": "C-Co-Li-O",
"density": 2.654801161202971,
"density_atomic": 0.09119987436232467,
"volume": 482.4568049863095,
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"formula_full": "Li8 Co4 C8 O24",
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"energy": -321.38888695,
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"updated_at": "2021-11-28T01:35:04.434000Z",
"spacegroup": 7
},
{
"id": "mp-570598",
"created_at": "2022-09-04T14:40:32.045724Z",
"structure_string": "Sr2 Si14 N20\n1.0\n6.781270 0.000000 0.000000\n0.000000 6.887068 0.000000\n0.000000 2.681301 9.307099\nSr Si N\n2 14 20\ndirect\n0.949817 0.955584 0.331857 Sr\n0.050183 0.955584 0.831857 Sr\n0.025929 0.539929 0.171851 Si\n0.394343 0.109007 0.426599 Si\n0.380852 0.296128 0.116128 Si\n0.026540 0.354111 0.483268 Si\n0.623789 0.848990 0.690885 Si\n0.370893 0.483590 0.812305 Si\n0.634957 0.665615 0.006964 Si\n0.619148 0.296128 0.616128 Si\n0.365043 0.665615 0.506964 Si\n0.629107 0.483590 0.312305 Si\n0.605657 0.109007 0.926599 Si\n0.974071 0.539929 0.671851 Si\n0.376211 0.848990 0.190885 Si\n0.973460 0.354111 0.983268 Si\n0.164377 0.154590 0.478525 N\n0.129753 0.319355 0.135153 N\n0.382678 0.887437 0.367193 N\n0.868526 0.567945 0.022983 N\n0.422937 0.078638 0.061911 N\n0.155174 0.748133 0.170017 N\n0.498139 0.286197 0.275945 N\n0.584203 0.703507 0.175451 N\n0.577063 0.078638 0.561911 N\n0.844826 0.748133 0.670017 N\n0.501861 0.286197 0.775945 N\n0.617322 0.887437 0.867193 N\n0.835623 0.154590 0.978525 N\n0.882322 0.445403 0.327504 N\n0.870247 0.319355 0.635153 N\n0.117678 0.445403 0.827504 N\n0.537787 0.498140 0.476157 N\n0.415797 0.703507 0.675451 N\n0.462213 0.498140 0.976157 N\n0.131474 0.567945 0.522983 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Si",
"N"
],
"chemical_system": "N-Si-Sr",
"density": 3.2417352398139077,
"density_atomic": 0.08282143667319454,
"volume": 434.67007390915654,
"volume_molar": 7.271234359001511,
"formula_full": "Sr2 Si14 N20",
"formula_reduced": "SrSi7N10",
"formula_anonymous": "AB7C10",
"energy": -293.63676568000005,
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"spacegroup": 7
},
{
"id": "mp-1194127",
"created_at": "2022-09-04T14:40:32.841380Z",
"structure_string": "Mg2 I2 O24\n1.0\n3.566492 0.000000 -2.526906\n-3.739845 0.000000 -8.976051\n0.000000 10.501210 0.000000\nMg I O\n2 2 24\ndirect\n0.690955 0.788206 0.687348 Mg\n0.190955 0.288206 0.312652 Mg\n0.246340 0.207649 0.723686 I\n0.746340 0.707649 0.276314 I\n0.285838 0.504019 0.901686 O\n0.785838 0.004019 0.098314 O\n0.003358 0.235455 0.869292 O\n0.503358 0.735455 0.130708 O\n0.189853 0.056907 0.630248 O\n0.689853 0.556907 0.369752 O\n0.499822 0.317875 0.646148 O\n0.999822 0.817875 0.353852 O\n0.948637 0.349254 0.632910 O\n0.448637 0.849254 0.367090 O\n0.535068 0.115803 0.843491 O\n0.035068 0.615803 0.156509 O\n0.008596 0.555741 0.882111 O\n0.508596 0.055741 0.117889 O\n0.333170 0.809287 0.828188 O\n0.833170 0.309287 0.171812 O\n0.645072 0.935690 0.553011 O\n0.145072 0.435690 0.446989 O\n0.120217 0.666596 0.607925 O\n0.620217 0.166596 0.392075 O\n0.414580 0.646812 0.623724 O\n0.914580 0.146812 0.376276 O\n0.034493 0.826607 0.819287 O\n0.534493 0.326607 0.180713 O\n",
"nsites": 28,
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"elements": [
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"I",
"O"
],
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"density": 2.617740258914684,
"density_atomic": 0.06430656896544208,
"volume": 435.41430448648276,
"volume_molar": 9.364736537625353,
"formula_full": "Mg2 I2 O24",
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"formula_anonymous": "ABC12",
"energy": -124.90262389,
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"spacegroup": 7
},
{
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{
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"formula_full": "Li6 Co4 Si4 O16",
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{
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{
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}