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"results": [
{
"id": "mp-1043764",
"created_at": "2022-09-04T14:39:06.259198Z",
"structure_string": "Ti2 Bi2 P6 O24\n1.0\n9.000601 -0.033015 -0.023023\n4.724995 7.660700 -0.023023\n4.724995 2.625808 7.196666\nTi Bi P O\n2 2 6 24\ndirect\n0.139399 0.139399 0.139399 Ti\n0.639399 0.639399 0.639399 Ti\n0.354370 0.354370 0.354370 Bi\n0.854370 0.854370 0.854370 Bi\n0.033268 0.455417 0.754164 P\n0.455417 0.754164 0.033268 P\n0.754164 0.033268 0.455417 P\n0.254164 0.955417 0.533268 P\n0.533268 0.254164 0.955417 P\n0.955417 0.533268 0.254164 P\n0.118297 0.528544 0.276662 O\n0.276662 0.118297 0.528544 O\n0.057343 0.283140 0.929178 O\n0.528544 0.276662 0.118297 O\n0.028544 0.618297 0.776662 O\n0.220311 0.429398 0.590795 O\n0.283140 0.929178 0.057343 O\n0.429398 0.590795 0.220311 O\n0.217161 0.998883 0.365416 O\n0.590795 0.220311 0.429398 O\n0.090795 0.929398 0.720311 O\n0.365416 0.217161 0.998883 O\n0.618297 0.776662 0.028544 O\n0.929178 0.057343 0.283140 O\n0.429178 0.783140 0.557343 O\n0.776662 0.028544 0.618297 O\n0.557343 0.429178 0.783140 O\n0.720311 0.090795 0.929398 O\n0.783140 0.557343 0.429178 O\n0.998883 0.365416 0.217161 O\n0.498883 0.717161 0.865416 O\n0.929398 0.720311 0.090795 O\n0.717161 0.865416 0.498883 O\n0.865416 0.498883 0.717161 O\n",
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"volume_molar": 8.828364536014115,
"formula_full": "Ti2 Bi2 P6 O24",
"formula_reduced": "TiBi(PO4)3",
"formula_anonymous": "ABC3D12",
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"updated_at": "2021-11-28T01:34:44.425000Z",
"spacegroup": 161
},
{
"id": "mp-1246040",
"created_at": "2022-09-04T14:39:05.246838Z",
"structure_string": "Ga2 C12 N18\n1.0\n7.445499 0.808356 0.000000\n10.896168 7.455293 0.000000\n0.000000 0.000000 11.562959\nGa C N\n2 12 18\ndirect\n0.000000 0.280898 0.250000 Ga\n0.000000 0.719102 0.750000 Ga\n0.679552 0.783691 0.250000 C\n0.679552 0.536756 0.750000 C\n0.320448 0.216309 0.750000 C\n0.320448 0.463244 0.250000 C\n0.679438 0.304472 0.907186 C\n0.679438 0.016090 0.092814 C\n0.679438 0.304472 0.592814 C\n0.679438 0.016090 0.407186 C\n0.320562 0.695528 0.092814 C\n0.320562 0.983910 0.907186 C\n0.320562 0.695528 0.407186 C\n0.320562 0.983910 0.592814 C\n0.000000 0.576889 0.250000 N\n0.000000 0.423111 0.750000 N\n0.377122 0.972132 0.250000 N\n0.377122 0.650746 0.750000 N\n0.622878 0.027868 0.750000 N\n0.622878 0.349254 0.250000 N\n0.000000 0.125663 0.955687 N\n0.000000 0.874337 0.044313 N\n0.000000 0.125663 0.544313 N\n0.000000 0.874337 0.455687 N\n0.376481 0.470857 0.868618 N\n0.376481 0.152663 0.131382 N\n0.376481 0.470857 0.631382 N\n0.376481 0.152663 0.368618 N\n0.623519 0.529143 0.131382 N\n0.623519 0.847337 0.868618 N\n0.623519 0.529143 0.368618 N\n0.623519 0.847337 0.631382 N\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "C-Ga-N",
"density": 1.6473169300478205,
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"volume": 539.994738751616,
"volume_molar": 10.16226352006768,
"formula_full": "Ga2 C12 N18",
"formula_reduced": "Ga(C2N3)3",
"formula_anonymous": "AB6C9",
"energy": -261.65307974,
"energy_per_atom": -8.176658741875,
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"energy_uncorrected": -255.15507974,
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"updated_at": "2021-11-28T01:34:41.007000Z",
"spacegroup": 63
},
{
"id": "mp-756669",
"created_at": "2022-09-04T14:39:07.706253Z",
"structure_string": "Li4 Ti3 Cr1 O8\n1.0\n5.245733 -2.933974 0.000000\n5.245733 2.933974 0.000000\n3.604742 0.000000 4.809549\nLi Ti Cr O\n4 3 1 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Cr\n0.254086 0.254086 0.254086 O\n0.756377 0.756377 0.253433 O\n0.253433 0.756377 0.756377 O\n0.745914 0.745914 0.745914 O\n0.756377 0.253433 0.756377 O\n0.243623 0.243623 0.746567 O\n0.746567 0.243623 0.243623 O\n0.243623 0.746567 0.243623 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.940942064158822,
"density_atomic": 0.10807448892452914,
"volume": 148.04603897940393,
"volume_molar": 5.572213035590107,
"formula_full": "Li4 Ti3 Cr1 O8",
"formula_reduced": "Li4Ti3CrO8",
"formula_anonymous": "AB3C4D8",
"energy": -125.23060535,
"energy_per_atom": -7.826912834375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:31.295000Z",
"spacegroup": 166
},
{
"id": "mp-1290773",
"created_at": "2022-09-04T14:39:06.263549Z",
"structure_string": "Li2 Fe4 C8 O24\n1.0\n-1.993804 -2.134546 -4.606720\n-7.532970 6.472822 -0.860578\n7.571351 4.847917 -4.439178\nLi Fe C O\n2 4 8 24\ndirect\n0.407696 0.357589 0.178442 Li\n0.913391 0.854618 0.679506 Li\n0.359214 0.010545 0.507522 Fe\n0.601850 0.485754 0.487318 Fe\n0.843738 0.511911 0.005839 Fe\n0.105223 0.987725 0.989778 Fe\n0.950012 0.704170 0.918071 C\n0.456745 0.203818 0.419562 C\n0.711374 0.417924 0.704789 C\n0.217420 0.914393 0.206640 C\n0.712994 0.576642 0.293414 C\n0.213954 0.075640 0.791844 C\n0.912020 0.284597 0.075244 C\n0.416532 0.781214 0.573121 C\n0.005589 0.808689 0.870154 O\n0.505053 0.307918 0.368884 O\n0.723829 0.675410 0.915627 O\n0.232472 0.170089 0.413466 O\n0.490187 0.410392 0.645560 O\n0.994340 0.909604 0.152309 O\n0.865991 0.457179 0.632113 O\n0.370089 0.952101 0.130307 O\n0.770965 0.389049 0.821046 O\n0.288475 0.885524 0.321695 O\n0.116471 0.623895 0.968384 O\n0.625625 0.127571 0.473851 O\n0.774028 0.620911 0.192258 O\n0.291212 0.118613 0.693967 O\n0.693747 0.348289 0.071953 O\n0.202054 0.849563 0.573622 O\n0.866511 0.552717 0.393309 O\n0.363160 0.052634 0.896045 O\n0.486152 0.550121 0.305339 O\n0.987537 0.049371 0.798992 O\n0.093646 0.357604 0.063633 O\n0.602787 0.849091 0.558426 O\n0.946386 0.160098 0.089564 O\n0.437057 0.657093 0.588979 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
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"C",
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],
"chemical_system": "C-Fe-Li-O",
"density": 2.2548760621181776,
"density_atomic": 0.07193433676158695,
"volume": 528.2595448950057,
"volume_molar": 8.37171930834543,
"formula_full": "Li2 Fe4 C8 O24",
"formula_reduced": "LiFe2(CO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -294.95861428,
"energy_per_atom": -7.762068796842105,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:26.056000Z",
"spacegroup": 1
},
{
"id": "mp-1074201",
"created_at": "2022-09-04T14:39:07.711545Z",
"structure_string": "Mg8 Si14\n1.0\n3.754041 0.000000 0.000000\n0.000000 6.733362 0.000000\n0.000000 3.295988 15.381404\nMg Si\n8 14\ndirect\n0.000000 0.133292 0.070259 Mg\n0.000000 0.233243 0.487634 Mg\n0.500000 0.019660 0.634574 Mg\n0.500000 0.496617 0.333804 Mg\n0.000000 0.577770 0.152943 Mg\n0.500000 0.798787 0.820162 Mg\n0.500000 0.499938 0.581423 Mg\n0.500000 0.949115 0.417104 Mg\n0.500000 0.471980 0.020835 Si\n0.500000 0.835531 0.033180 Si\n0.000000 0.960963 0.916171 Si\n0.000000 0.510072 0.912748 Si\n0.000000 0.633701 0.440210 Si\n0.000000 0.816447 0.556306 Si\n0.500000 0.384451 0.765783 Si\n0.500000 0.879468 0.188194 Si\n0.000000 0.207745 0.302006 Si\n0.500000 0.212475 0.918484 Si\n0.000000 0.145963 0.747476 Si\n0.500000 0.257258 0.193412 Si\n0.000000 0.839342 0.290221 Si\n0.000000 0.639849 0.713482 Si\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.5097546984067223,
"density_atomic": 0.056584271171861926,
"volume": 388.80062505674016,
"volume_molar": 10.642782234853055,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
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"energy": -83.99819242,
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"spacegroup": 6
},
{
"id": "mp-759910",
"created_at": "2022-09-04T14:39:07.719253Z",
"structure_string": "Li6 Mn6 Fe2 O16\n1.0\n2.867243 -4.966211 0.000000\n2.867243 4.966211 0.000000\n0.000000 0.000000 9.520852\nLi Mn Fe O\n6 6 2 16\ndirect\n0.167850 0.832150 0.446044 Li\n0.664300 0.832150 0.446044 Li\n0.167850 0.335700 0.446044 Li\n0.832150 0.664300 0.946044 Li\n0.335700 0.167850 0.946044 Li\n0.832150 0.167850 0.946044 Li\n0.166024 0.833976 0.715252 Mn\n0.667952 0.833976 0.715252 Mn\n0.166024 0.332048 0.715252 Mn\n0.833976 0.667952 0.215252 Mn\n0.332048 0.166024 0.215252 Mn\n0.833976 0.166024 0.215252 Mn\n0.333333 0.666667 0.996421 Fe\n0.666667 0.333333 0.496421 Fe\n0.000000 0.000000 0.823172 O\n0.000000 0.000000 0.323172 O\n0.156405 0.843595 0.098115 O\n0.486400 0.972799 0.835452 O\n0.687190 0.843595 0.098115 O\n0.333333 0.666667 0.602562 O\n0.027201 0.513600 0.835452 O\n0.486400 0.513600 0.835452 O\n0.843595 0.687190 0.598115 O\n0.156405 0.312810 0.098115 O\n0.513600 0.486400 0.335452 O\n0.972799 0.486400 0.335452 O\n0.666667 0.333333 0.102562 O\n0.312810 0.156405 0.598115 O\n0.513600 0.027201 0.335452 O\n0.843595 0.156405 0.598115 O\n",
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"elements": [
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],
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"density": 4.525550516359117,
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"volume": 271.14117797290754,
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"formula_full": "Li6 Mn6 Fe2 O16",
"formula_reduced": "Li3Mn3FeO8",
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"energy": -219.93783701,
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{
"id": "mp-1289263",
"created_at": "2022-09-04T14:39:06.279940Z",
"structure_string": "Fe4 Cu2 O8\n1.0\n2.989678 -3.017344 4.266551\n2.989224 3.016734 -4.266659\n2.989067 3.017267 4.266932\nFe Cu O\n4 2 8\ndirect\n0.749986 0.375011 0.874996 Fe\n0.250010 0.375011 0.374998 Fe\n0.750021 0.375016 0.374993 Fe\n0.249992 0.874991 0.374980 Fe\n0.999949 0.003450 0.996566 Cu\n0.500028 0.746695 0.753241 Cu\n0.771370 0.610566 0.618107 O\n0.231500 0.615886 0.615761 O\n0.768590 0.152947 0.615565 O\n0.268710 0.134254 0.134321 O\n0.728502 0.139391 0.132035 O\n0.228521 0.610449 0.160774 O\n0.271626 0.139550 0.589128 O\n0.731195 0.596783 0.134535 O\n",
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"elements": [
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"volume": 153.9474632853794,
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"formula_full": "Fe4 Cu2 O8",
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"formula_anonymous": "AB2C4",
"energy": -101.33551769,
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{
"id": "mp-771168",
"created_at": "2022-09-04T14:39:05.624810Z",
"structure_string": "Na4 Si2 Bi2 C2 O14\n1.0\n6.955854 0.000000 0.000000\n0.000000 5.357678 0.000000\n0.000000 0.191287 9.309595\nNa Si Bi C O\n4 2 2 2 14\ndirect\n0.007306 0.231296 0.779254 Na\n0.492694 0.231296 0.779254 Na\n0.507306 0.768704 0.220746 Na\n0.992694 0.768704 0.220746 Na\n0.250000 0.709621 0.583667 Si\n0.750000 0.290379 0.416333 Si\n0.750000 0.785331 0.634074 Bi\n0.250000 0.214669 0.365926 Bi\n0.750000 0.727998 0.931705 C\n0.250000 0.272002 0.068295 C\n0.250000 0.295511 0.934027 O\n0.750000 0.947958 0.864752 O\n0.750000 0.531144 0.846690 O\n0.064801 0.824512 0.670303 O\n0.435199 0.824512 0.670303 O\n0.750000 0.197910 0.587794 O\n0.250000 0.401015 0.587982 O\n0.750000 0.598985 0.412018 O\n0.250000 0.802090 0.412206 O\n0.564801 0.175488 0.329697 O\n0.935199 0.175488 0.329697 O\n0.250000 0.468856 0.153310 O\n0.250000 0.052042 0.135248 O\n0.750000 0.704489 0.065973 O\n",
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"volume": 346.94278034017316,
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"formula_full": "Na4 Si2 Bi2 C2 O14",
"formula_reduced": "Na2SiBiCO7",
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"energy": -164.16469996,
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"spacegroup": 11
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{
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