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{
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"results": [
{
"id": "mp-1192819",
"created_at": "2022-09-04T14:46:41.676714Z",
"structure_string": "Mg4 Fe4 Si4 O16\n1.0\n-4.818199 -0.000005 -0.000009\n-0.000012 0.000005 -6.145307\n-0.000010 -10.516278 0.000009\nMg Fe Si O\n4 4 4 16\ndirect\n0.499997 0.999999 0.500000 Mg\n0.999997 0.500001 0.999999 Mg\n0.499997 0.500001 0.499998 Mg\n0.999999 0.999998 0.999999 Mg\n0.512056 0.249994 0.778267 Fe\n0.987997 0.250011 0.278240 Fe\n0.487972 0.749990 0.221766 Fe\n0.012035 0.750008 0.721751 Fe\n0.926936 0.749998 0.406522 Si\n0.573059 0.749997 0.906522 Si\n0.073060 0.249996 0.593480 Si\n0.426935 0.249999 0.093480 Si\n0.265475 0.750000 0.412932 O\n0.234520 0.750000 0.912932 O\n0.734518 0.250001 0.587067 O\n0.765476 0.249999 0.087067 O\n0.727551 0.750000 0.049092 O\n0.772443 0.750000 0.549092 O\n0.272448 0.249999 0.950904 O\n0.227547 0.250001 0.450904 O\n0.782539 0.965172 0.337972 O\n0.717453 0.534830 0.837973 O\n0.217465 0.465173 0.662025 O\n0.282532 0.034831 0.162023 O\n0.217451 0.034817 0.662022 O\n0.282543 0.465186 0.162023 O\n0.782553 0.534814 0.337975 O\n0.717444 0.965189 0.837972 O\n",
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"elements": [
"Mg",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Mg-O-Si",
"density": 3.673967685386263,
"density_atomic": 0.08992235168334899,
"volume": 311.3797568217379,
"volume_molar": 6.697045447839556,
"formula_full": "Mg4 Fe4 Si4 O16",
"formula_reduced": "MgFeSiO4",
"formula_anonymous": "ABCD4",
"energy": -218.49380466,
"energy_per_atom": -7.803350166428571,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:50.532000Z",
"spacegroup": 62
},
{
"id": "mp-735543",
"created_at": "2022-09-04T14:46:41.791102Z",
"structure_string": "Mn4 H24 S4 O24\n1.0\n5.844389 0.000000 0.000000\n0.000000 9.821966 0.000000\n0.000000 0.000000 9.956108\nMn H S O\n4 24 4 24\ndirect\n0.767975 0.175945 0.793995 Mn\n0.232025 0.675945 0.706005 Mn\n0.732025 0.824055 0.293995 Mn\n0.267975 0.324055 0.206005 Mn\n0.479476 0.394198 0.635646 H\n0.520524 0.894198 0.864354 H\n0.020524 0.605802 0.135646 H\n0.979476 0.105802 0.364354 H\n0.692310 0.308488 0.607720 H\n0.307690 0.808488 0.892280 H\n0.807690 0.691512 0.107720 H\n0.192310 0.191512 0.392280 H\n0.984288 0.396306 0.630456 H\n0.015712 0.896306 0.869544 H\n0.515712 0.603694 0.130456 H\n0.484288 0.103694 0.369544 H\n0.999776 0.260280 0.539049 H\n0.000224 0.760280 0.960951 H\n0.500224 0.739720 0.039049 H\n0.499776 0.239720 0.460951 H\n0.888781 0.971249 0.599621 H\n0.111219 0.471249 0.900379 H\n0.611219 0.028751 0.099621 H\n0.388781 0.528751 0.400379 H\n0.618999 0.973557 0.601187 H\n0.381001 0.473557 0.898813 H\n0.881001 0.026443 0.101187 H\n0.118999 0.526443 0.398813 H\n0.263500 0.160168 0.934257 S\n0.736500 0.660168 0.565743 S\n0.236500 0.839832 0.434257 S\n0.763500 0.339832 0.065743 S\n0.764306 0.358707 0.911227 O\n0.235694 0.858707 0.588773 O\n0.735694 0.641293 0.411227 O\n0.264306 0.141293 0.088773 O\n0.054096 0.073298 0.886981 O\n0.945904 0.573298 0.613019 O\n0.445904 0.926702 0.386981 O\n0.554096 0.426702 0.113019 O\n0.480197 0.081093 0.888416 O\n0.519803 0.581094 0.611584 O\n0.019803 0.918906 0.388416 O\n0.980197 0.418907 0.111584 O\n0.524078 0.297779 0.622910 O\n0.475922 0.797779 0.877090 O\n0.975922 0.702221 0.122910 O\n0.024078 0.202221 0.377090 O\n0.971334 0.295072 0.632393 O\n0.028666 0.795072 0.867607 O\n0.528666 0.704928 0.132393 O\n0.471334 0.204928 0.367607 O\n0.755890 0.018227 0.637664 O\n0.244110 0.518227 0.862336 O\n0.744110 0.981773 0.137664 O\n0.255890 0.481773 0.362336 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Mn",
"H",
"S",
"O"
],
"chemical_system": "H-Mn-O-S",
"density": 2.197110673280903,
"density_atomic": 0.09798529103009337,
"volume": 571.5143508917191,
"volume_molar": 6.145964048982078,
"formula_full": "Mn4 H24 S4 O24",
"formula_reduced": "MnH6SO6",
"formula_anonymous": "ABC6D6",
"energy": -333.95384799000004,
"energy_per_atom": -5.963461571250001,
"energy_above_hull": null,
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"energy_uncorrected": -310.79384799,
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"updated_at": "2021-11-28T01:37:47.147000Z",
"spacegroup": 19
},
{
"id": "mp-1097409",
"created_at": "2022-09-04T14:46:41.794651Z",
"structure_string": "Hf2 Cu1 Mo1\n1.0\n-5.036677 5.406911 7.589143\n5.036677 -5.406911 7.589143\n5.036677 5.406911 -7.589143\nHf Cu Mo\n2 1 1\ndirect\n0.000000 0.264730 0.264730 Hf\n0.000000 0.735270 0.735270 Hf\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Cu",
"Mo"
],
"chemical_system": "Cu-Hf-Mo",
"density": 1.037396514919484,
"density_atomic": 0.0048385356162361295,
"volume": 826.696405122585,
"volume_molar": 124.46205293585481,
"formula_full": "Hf2 Cu1 Mo1",
"formula_reduced": "Hf2CuMo",
"formula_anonymous": "ABC2",
"energy": -20.72475849,
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"updated_at": "2021-11-28T01:37:40.895000Z",
"spacegroup": 71
},
{
"id": "mp-1049224",
"created_at": "2022-09-04T14:46:42.001481Z",
"structure_string": "Mg6 Cu12 O24\n1.0\n5.944371 0.000181 0.000315\n2.972342 5.147753 0.000231\n8.917469 5.148140 14.432983\nMg Cu O\n6 12 24\ndirect\n0.117983 0.118126 0.048644 Mg\n0.119444 0.119594 0.380501 Mg\n0.498716 0.498720 0.334656 Mg\n0.120642 0.120651 0.712699 Mg\n0.498867 0.498769 0.001097 Mg\n0.877251 0.877226 0.622786 Mg\n0.498840 0.498842 0.166880 Cu\n0.498927 0.001667 0.166851 Cu\n0.499787 0.499805 0.499621 Cu\n0.001758 0.498884 0.166849 Cu\n0.499881 0.001489 0.499619 Cu\n0.500755 0.500762 0.665917 Cu\n0.879928 0.879828 0.286779 Cu\n0.498949 0.498949 0.834032 Cu\n0.001465 0.499907 0.499613 Cu\n0.498953 0.999867 0.834048 Cu\n0.999899 0.498955 0.834047 Cu\n0.877540 0.877469 0.955807 Cu\n0.256258 0.256425 0.092020 O\n0.256056 0.256382 0.243733 O\n0.256390 0.711116 0.092135 O\n0.711019 0.256534 0.092143 O\n0.255222 0.255247 0.425243 O\n0.285879 0.746487 0.240206 O\n0.257441 0.257561 0.575739 O\n0.746665 0.285834 0.240193 O\n0.746037 0.745592 0.087584 O\n0.255225 0.713987 0.425239 O\n0.713908 0.255279 0.425234 O\n0.746753 0.746562 0.240329 O\n0.263692 0.263392 0.753468 O\n0.289206 0.739342 0.577286 O\n0.739371 0.289221 0.577267 O\n0.258554 0.258497 0.908118 O\n0.747293 0.747249 0.419549 O\n0.263580 0.712739 0.753340 O\n0.712651 0.263374 0.753399 O\n0.739478 0.739444 0.577292 O\n0.277662 0.746960 0.909602 O\n0.746760 0.277544 0.909659 O\n0.738711 0.738771 0.761204 O\n0.746606 0.746949 0.909571 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
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"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 4.859364967164923,
"density_atomic": 0.09510287580382708,
"volume": 441.6270238413743,
"volume_molar": 6.332238335696743,
"formula_full": "Mg6 Cu12 O24",
"formula_reduced": "Mg(CuO2)2",
"formula_anonymous": "AB2C4",
"energy": -237.35383492,
"energy_per_atom": -5.651281783809524,
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"updated_at": "2021-11-28T01:37:44.016000Z",
"spacegroup": 156
},
{
"id": "mp-780195",
"created_at": "2022-09-04T14:46:42.112141Z",
"structure_string": "Li2 V2 P6 H2 O20\n1.0\n6.521020 0.000000 0.000000\n0.873389 7.485218 0.000000\n2.736120 2.059117 7.499525\nLi V P H O\n2 2 6 2 20\ndirect\n0.711622 0.314305 0.404447 Li\n0.288378 0.685695 0.595553 Li\n0.810726 0.361569 0.979879 V\n0.189274 0.638431 0.020121 V\n0.862808 0.966107 0.866126 P\n0.686659 0.754251 0.693823 P\n0.621591 0.688223 0.164528 P\n0.378409 0.311777 0.835472 P\n0.313341 0.245749 0.306177 P\n0.137192 0.033893 0.133874 P\n0.684722 0.779219 0.423977 H\n0.315278 0.220781 0.576023 H\n0.894608 0.169499 0.829130 O\n0.834015 0.597200 0.755775 O\n0.728655 0.939140 0.743381 O\n0.762307 0.833598 0.486463 O\n0.938241 0.160951 0.157952 O\n0.832599 0.561752 0.121976 O\n0.702334 0.899962 0.065917 O\n0.526260 0.347407 0.929744 O\n0.443727 0.720116 0.754653 O\n0.529113 0.680096 0.360519 O\n0.470887 0.319904 0.639481 O\n0.556273 0.279884 0.245347 O\n0.473740 0.652593 0.070256 O\n0.297666 0.100038 0.934083 O\n0.167401 0.438248 0.878024 O\n0.061759 0.839049 0.842048 O\n0.237693 0.166402 0.513537 O\n0.271345 0.060860 0.256619 O\n0.165985 0.402800 0.244225 O\n0.105392 0.830501 0.170870 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
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"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.8288468551316543,
"density_atomic": 0.08741706792631937,
"volume": 366.0612367709659,
"volume_molar": 6.888975920670139,
"formula_full": "Li2 V2 P6 H2 O20",
"formula_reduced": "LiVP3HO10",
"formula_anonymous": "ABCD3E10",
"energy": -239.41388522,
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"energy_above_hull": null,
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"spacegroup": 2
},
{
"id": "mp-21066",
"created_at": "2022-09-04T14:46:42.352635Z",
"structure_string": "Ta4 Mn4 P4\n1.0\n3.667079 0.000000 0.000000\n0.000000 6.074659 0.001989\n0.000000 0.002301 6.994183\nTa Mn P\n4 4 4\ndirect\n0.750000 0.977438 0.821844 Ta\n0.250000 0.522552 0.322080 Ta\n0.250000 0.022548 0.178106 Ta\n0.750000 0.477453 0.677956 Ta\n0.750000 0.348195 0.059865 Mn\n0.250000 0.651834 0.940182 Mn\n0.750000 0.848072 0.440156 Mn\n0.250000 0.151933 0.559777 Mn\n0.250000 0.780953 0.622463 P\n0.750000 0.219009 0.377547 P\n0.250000 0.280817 0.877390 P\n0.750000 0.719195 0.122635 P\n",
"nsites": 12,
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],
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"density": 11.376611998157085,
"density_atomic": 0.0770197547842619,
"volume": 155.80418340220504,
"volume_molar": 7.818956028707786,
"formula_full": "Ta4 Mn4 P4",
"formula_reduced": "TaMnP",
"formula_anonymous": "ABC",
"energy": -114.95502746,
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"updated_at": "2021-11-28T01:37:49.291000Z",
"spacegroup": 62
},
{
"id": "mp-570430",
"created_at": "2022-09-04T14:46:42.553704Z",
"structure_string": "Ta4 Co8\n1.0\n2.380391 -4.122959 0.000000\n2.380391 4.122959 0.000000\n0.000000 0.000000 7.763431\nTa Co\n4 8\ndirect\n0.333333 0.666667 0.065911 Ta\n0.666667 0.333333 0.934089 Ta\n0.333333 0.666667 0.434089 Ta\n0.666667 0.333333 0.565911 Ta\n0.832253 0.167747 0.250000 Co\n0.335493 0.167747 0.250000 Co\n0.167747 0.832253 0.750000 Co\n0.167747 0.335493 0.750000 Co\n0.832253 0.664507 0.250000 Co\n0.000000 0.000000 0.000000 Co\n0.664507 0.832253 0.750000 Co\n0.000000 0.000000 0.500000 Co\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Co"
],
"chemical_system": "Co-Ta",
"density": 13.024750525241734,
"density_atomic": 0.07874812777916775,
"volume": 152.38457520731706,
"volume_molar": 7.647344679593913,
"formula_full": "Ta4 Co8",
"formula_reduced": "TaCo2",
"formula_anonymous": "AB2",
"energy": -106.85558552999998,
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"updated_at": "2021-11-28T01:37:49.695000Z",
"spacegroup": 194
},
{
"id": "mp-1977502",
"created_at": "2022-09-04T14:46:41.712473Z",
"structure_string": "Li8 Co10 Sn2 O24\n1.0\n2.492619 4.328855 -0.398912\n4.689629 -0.707665 9.723279\n7.654259 -4.405412 0.001265\nLi Co Sn O\n8 10 2 24\ndirect\n0.044443 0.743692 0.461198 Li\n0.539795 0.746452 0.959946 Li\n0.456124 0.256347 0.705401 Li\n0.958903 0.253467 0.205793 Li\n0.540794 0.746535 0.294483 Li\n0.043790 0.743662 0.795089 Li\n0.959739 0.253557 0.540562 Li\n0.455639 0.256351 0.039232 Li\n0.750062 0.499957 0.250148 Co\n0.249920 0.500081 0.750102 Co\n0.250152 0.500014 0.410832 Co\n0.749934 0.499938 0.914100 Co\n0.750153 0.500043 0.586169 Co\n0.249999 0.499924 0.089465 Co\n0.499465 0.000511 0.166326 Co\n0.000458 0.999469 0.666864 Co\n0.499473 0.000501 0.832653 Co\n0.000480 0.999467 0.333194 Co\n0.999299 0.000312 0.999683 Sn\n0.500892 0.999682 0.499972 Sn\n0.915154 0.609007 0.695541 O\n0.403590 0.599833 0.200127 O\n0.584986 0.391177 0.804633 O\n0.096588 0.400101 0.300157 O\n0.336510 0.108381 0.945570 O\n0.838716 0.107518 0.445986 O\n0.661254 0.892500 0.053539 O\n0.163424 0.891647 0.553949 O\n0.302880 0.107264 0.623993 O\n0.803172 0.107996 0.124566 O\n0.197085 0.892743 0.231303 O\n0.696763 0.892037 0.732598 O\n0.803159 0.107993 0.766915 O\n0.302890 0.107280 0.268215 O\n0.696772 0.892029 0.374977 O\n0.197052 0.892744 0.875584 O\n0.107071 0.395044 0.617113 O\n0.588210 0.396991 0.137880 O\n0.588536 0.397193 0.465237 O\n0.106803 0.395008 0.988209 O\n0.393297 0.605009 0.512000 O\n0.911607 0.602709 0.035043 O\n0.911942 0.602878 0.362440 O\n0.393021 0.604958 0.883217 O\n",
"nsites": 44,
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"elements": [
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"Sn",
"O"
],
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"volume": 434.9970525893896,
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"formula_full": "Li8 Co10 Sn2 O24",
"formula_reduced": "Li4Co5SnO12",
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"energy": -285.16382363,
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"updated_at": "2021-11-28T01:37:44.845000Z",
"spacegroup": 12
},
{
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