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{
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"results": [
{
"id": "mp-1221567",
"created_at": "2022-09-04T14:39:06.722097Z",
"structure_string": "Mn1 Pt2\n1.0\n1.429202 -2.475451 0.000000\n1.429202 2.475451 0.000000\n0.000000 0.000000 6.532504\nMn Pt\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.683794 Pt\n0.666667 0.333333 0.316206 Pt\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Mn-Pt",
"density": 15.990239202292132,
"density_atomic": 0.06490282869257662,
"volume": 46.2229468334888,
"volume_molar": 9.278703072442195,
"formula_full": "Mn1 Pt2",
"formula_reduced": "MnPt2",
"formula_anonymous": "AB2",
"energy": -21.87387192,
"energy_per_atom": -7.29129064,
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"updated_at": "2021-11-28T01:34:36.936000Z",
"spacegroup": 164
},
{
"id": "mp-631592",
"created_at": "2022-09-04T14:39:06.116954Z",
"structure_string": "Re2 Ru1 Br1\n1.0\n0.000000 3.136621 3.136621\n3.136621 0.000000 3.136621\n3.136621 3.136621 0.000000\nRe Ru Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Re\n0.750000 0.750000 0.750000 Re\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"Ru",
"Br"
],
"chemical_system": "Br-Re-Ru",
"density": 14.888903045940932,
"density_atomic": 0.06481027411916028,
"volume": 61.71860950079601,
"volume_molar": 9.291953848131673,
"formula_full": "Re2 Ru1 Br1",
"formula_reduced": "Re2RuBr",
"formula_anonymous": "ABC2",
"energy": -31.65836638,
"energy_per_atom": -7.914591595,
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"energy_uncorrected": -31.12436638,
"band_gap": 0.0,
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"total_magnetization": 0.0075772,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.561000Z",
"spacegroup": 225
},
{
"id": "mp-1214673",
"created_at": "2022-09-04T14:39:06.662251Z",
"structure_string": "Ba2 La2 Tl1 Cu2 O9\n1.0\n-1.913027 1.913027 16.268136\n1.913027 -1.913027 16.268136\n1.913027 1.913027 -16.268136\nBa La Tl Cu O\n2 2 1 2 9\ndirect\n0.416946 0.416946 0.000000 Ba\n0.583054 0.583054 0.000000 Ba\n0.295127 0.295127 0.000000 La\n0.704873 0.704873 0.000000 La\n0.000000 0.000000 0.000000 Tl\n0.150113 0.150113 0.000000 Cu\n0.849887 0.849887 0.000000 Cu\n0.065400 0.065400 0.000000 O\n0.934600 0.934600 0.000000 O\n0.222464 0.222464 0.000000 O\n0.777536 0.777536 0.000000 O\n0.500000 0.500000 0.000000 O\n0.653035 0.153035 0.500000 O\n0.346965 0.846965 0.500000 O\n0.153035 0.653035 0.500000 O\n0.846965 0.346965 0.500000 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ba",
"La",
"Tl",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-La-O-Tl",
"density": 7.167615475468456,
"density_atomic": 0.06718618751630921,
"volume": 238.14418694491417,
"volume_molar": 8.963361343487671,
"formula_full": "Ba2 La2 Tl1 Cu2 O9",
"formula_reduced": "Ba2La2TlCu2O9",
"formula_anonymous": "AB2C2D2E9",
"energy": -107.37946714,
"energy_per_atom": -6.71121669625,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -101.19646714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028488,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.604000Z",
"spacegroup": 139
},
{
"id": "mp-1360171",
"created_at": "2022-09-04T14:39:06.664780Z",
"structure_string": "Sr4 Y2 V2 Cu4 O14\n1.0\n-2.791870 2.828541 11.996219\n2.791870 -2.828541 11.996219\n2.791870 2.828541 -11.996219\nSr Y V Cu O\n4 2 2 4 14\ndirect\n0.163976 0.655044 0.531374 Sr\n0.836024 0.367398 0.491068 Sr\n0.623670 0.155044 0.491068 Sr\n0.376330 0.867398 0.531374 Sr\n0.500000 0.015524 0.515524 Y\n0.000000 0.515524 0.515524 Y\n0.826584 0.718645 0.045228 V\n0.173416 0.218645 0.892061 V\n0.065121 0.080360 0.013206 Cu\n0.934879 0.948085 0.015240 Cu\n0.567154 0.580360 0.015240 Cu\n0.432846 0.448085 0.013206 Cu\n0.128078 0.872760 0.500838 O\n0.871922 0.372760 0.744682 O\n0.308839 0.822336 0.005185 O\n0.691161 0.696347 0.513497 O\n0.317151 0.322336 0.513497 O\n0.682849 0.196347 0.005185 O\n0.818888 0.332549 0.022915 O\n0.181112 0.204027 0.513661 O\n0.809634 0.832549 0.513661 O\n0.190366 0.704027 0.022915 O\n0.642433 0.718776 0.997610 O\n0.357567 0.355178 0.076343 O\n0.221165 0.218776 0.076343 O\n0.778835 0.855178 0.997610 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Y",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr-V-Y",
"density": 4.856955153734498,
"density_atomic": 0.06861377290947791,
"volume": 378.93266756080845,
"volume_molar": 8.776868702359517,
"formula_full": "Sr4 Y2 V2 Cu4 O14",
"formula_reduced": "Sr2YVCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -188.51623202,
"energy_per_atom": -7.250624308461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -175.49823202,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6872778,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.560000Z",
"spacegroup": 46
},
{
"id": "mp-754486",
"created_at": "2022-09-04T14:39:06.131952Z",
"structure_string": "Li5 Mn2 P2 C2 O14\n1.0\n6.632068 0.000000 0.000000\n0.000000 5.026363 0.000000\n0.000000 0.663656 8.436365\nLi Mn P C O\n5 2 2 2 14\ndirect\n0.277051 0.246060 0.263200 Li\n0.722949 0.246060 0.263200 Li\n0.776016 0.752262 0.733968 Li\n0.223984 0.752262 0.733968 Li\n0.000000 0.234387 0.903040 Li\n0.000000 0.784503 0.342159 Mn\n0.500000 0.212835 0.664757 Mn\n0.500000 0.734681 0.419016 P\n0.000000 0.277072 0.588147 P\n0.000000 0.704137 0.036754 C\n0.500000 0.289985 0.953442 C\n0.000000 0.950382 0.069356 O\n0.500000 0.326552 0.099088 O\n0.000000 0.516210 0.152178 O\n0.312333 0.837628 0.327205 O\n0.687667 0.837628 0.327205 O\n0.000000 0.187439 0.417613 O\n0.500000 0.418209 0.442472 O\n0.000000 0.588962 0.576653 O\n0.500000 0.831693 0.590761 O\n0.182455 0.169285 0.688879 O\n0.817545 0.169285 0.688879 O\n0.500000 0.485824 0.839973 O\n0.000000 0.636517 0.891439 O\n0.500000 0.054574 0.897489 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.6838890944860454,
"density_atomic": 0.08889591964185599,
"volume": 281.2277560175994,
"volume_molar": 6.774372529427683,
"formula_full": "Li5 Mn2 P2 C2 O14",
"formula_reduced": "Li5Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D5E14",
"energy": -185.63818622,
"energy_per_atom": -7.4255274488,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -172.68418622,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 9.0032047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.135000Z",
"spacegroup": 6
},
{
"id": "mp-1215707",
"created_at": "2022-09-04T14:39:06.669434Z",
"structure_string": "Zr10 Cr1 Sb5\n1.0\n0.000000 0.000000 5.583447\n-5.616245 5.616245 2.791724\n-5.616245 -5.616245 -2.791724\nZr Cr Sb\n10 1 5\ndirect\n0.411308 0.863548 0.709816 Zr\n0.565040 0.136452 0.290184 Zr\n0.934960 0.290184 0.136452 Zr\n0.088692 0.709816 0.863548 Zr\n0.701492 0.709816 0.136452 Zr\n0.274856 0.290184 0.863548 Zr\n0.798508 0.136452 0.709816 Zr\n0.225144 0.863548 0.290184 Zr\n0.250000 0.500000 0.500000 Zr\n0.750000 0.500000 0.500000 Zr\n0.250000 0.000000 0.000000 Cr\n0.336794 0.500000 0.173588 Sb\n0.663206 0.500000 0.826412 Sb\n0.836794 0.826412 0.500000 Sb\n0.163206 0.173588 0.500000 Sb\n0.750000 0.000000 0.000000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"Sb"
],
"chemical_system": "Cr-Sb-Zr",
"density": 7.415890410542888,
"density_atomic": 0.04542505889440868,
"volume": 352.22849214554174,
"volume_molar": 13.257309746143793,
"formula_full": "Zr10 Cr1 Sb5",
"formula_reduced": "Zr10CrSb5",
"formula_anonymous": "AB5C10",
"energy": -126.09100419,
"energy_per_atom": -7.880687761875,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -125.13100419,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.614000Z",
"spacegroup": 97
},
{
"id": "mp-1573669",
"created_at": "2022-09-04T14:39:05.558726Z",
"structure_string": "Ca10 Sc4 Co4 O24\n1.0\n-0.337426 6.419424 -0.220565\n-6.489769 0.106233 6.761508\n6.380429 0.000842 6.100091\nCa Sc Co O\n10 4 4 24\ndirect\n0.614464 0.317904 0.566093 Ca\n0.618599 0.815741 0.067363 Ca\n0.739379 0.135355 0.245695 Ca\n0.742899 0.632473 0.745024 Ca\n0.120492 0.186162 0.571802 Ca\n0.121126 0.684241 0.075446 Ca\n0.892657 0.808950 0.434411 Ca\n0.887887 0.314510 0.934377 Ca\n0.253497 0.863947 0.742951 Ca\n0.254253 0.368163 0.244044 Ca\n0.247443 0.001308 0.251197 Sc\n0.251504 0.499150 0.749481 Sc\n0.745793 0.002135 0.751804 Sc\n0.742835 0.503512 0.253814 Sc\n0.502444 0.500920 0.996593 Co\n0.002621 0.496545 0.501066 Co\n0.502154 0.995962 0.497856 Co\n0.006247 0.000309 0.997857 Co\n0.072982 0.658879 0.628685 O\n0.068644 0.161882 0.130699 O\n0.207560 0.949032 0.480913 O\n0.211720 0.449287 0.979188 O\n0.911357 0.335067 0.380936 O\n0.912350 0.832029 0.879521 O\n0.787316 0.068317 0.520157 O\n0.785404 0.566530 0.021236 O\n0.722865 0.557833 0.484413 O\n0.724348 0.057007 0.984548 O\n0.458321 0.100839 0.674067 O\n0.458090 0.602744 0.174937 O\n0.960140 0.891450 0.198008 O\n0.960518 0.398130 0.690604 O\n0.409240 0.172985 0.366069 O\n0.412009 0.666190 0.874035 O\n0.030933 0.094924 0.801793 O\n0.030105 0.589826 0.309739 O\n0.602853 0.837875 0.631929 O\n0.600734 0.344890 0.124333 O\n0.551755 0.913916 0.309080 O\n0.555369 0.413741 0.807951 O\n0.278111 0.419583 0.526340 O\n0.277723 0.921390 0.025572 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Ca",
"Sc",
"Co",
"O"
],
"chemical_system": "Ca-Co-O-Sc",
"density": 3.753568966615683,
"density_atomic": 0.07909459680763593,
"volume": 531.0097237381106,
"volume_molar": 7.613845955427655,
"formula_full": "Ca10 Sc4 Co4 O24",
"formula_reduced": "Ca5Sc2(CoO6)2",
"formula_anonymous": "A2B2C5D12",
"energy": -311.52043416000004,
"energy_per_atom": -7.417153194285715,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:41.371000Z",
"spacegroup": 1
},
{
"id": "mp-1179935",
"created_at": "2022-09-04T14:39:06.674056Z",
"structure_string": "Rb8 Ce2 H24 C6 O34\n1.0\n8.873841 -0.126719 3.022734\n0.774549 10.684464 5.215428\n-0.646342 0.933870 11.742379\nRb Ce H C O\n8 2 24 6 34\ndirect\n0.275329 0.651873 0.079381 Rb\n0.724671 0.348127 0.920619 Rb\n0.288513 0.967685 0.567902 Rb\n0.711487 0.032315 0.432098 Rb\n0.147326 0.920874 0.251462 Rb\n0.852674 0.079126 0.748538 Rb\n0.731397 0.486856 0.305574 Rb\n0.268603 0.513144 0.694426 Rb\n0.882660 0.614343 0.542331 Ce\n0.117340 0.385657 0.457669 Ce\n0.533876 0.731576 0.109237 H\n0.517690 0.953963 0.262408 H\n0.496464 0.830242 0.800167 H\n0.692860 0.598238 0.973601 H\n0.307140 0.401762 0.026399 H\n0.948167 0.705280 0.036986 H\n0.482310 0.046037 0.737592 H\n0.209302 0.987652 0.919983 H\n0.959922 0.505958 0.743289 H\n0.546491 0.746509 0.160429 H\n0.074077 0.898615 0.984020 H\n0.967427 0.792653 0.878853 H\n0.429891 0.706268 0.435561 H\n0.570109 0.293732 0.564439 H\n0.736152 0.808459 0.743865 H\n0.925923 0.101385 0.015980 H\n0.051833 0.294720 0.963014 H\n0.032573 0.207347 0.121147 H\n0.466124 0.268424 0.890763 H\n0.263848 0.191541 0.256135 H\n0.790698 0.012348 0.080017 H\n0.040079 0.494042 0.256711 H\n0.453509 0.253491 0.839571 H\n0.503536 0.169758 0.199833 H\n0.047697 0.206012 0.345410 C\n0.444084 0.321607 0.321712 C\n0.952303 0.793988 0.654590 C\n0.242668 0.195460 0.685602 C\n0.757332 0.804540 0.314398 C\n0.555916 0.678393 0.678288 C\n0.689551 0.891356 0.223019 O\n0.808491 0.762840 0.693613 O\n0.997552 0.850012 0.704145 O\n0.191509 0.237160 0.306387 O\n0.913398 0.382484 0.635786 O\n0.002448 0.149988 0.295855 O\n0.632492 0.572589 0.687626 O\n0.417886 0.986979 0.297908 O\n0.534940 0.345620 0.198097 O\n0.582114 0.013021 0.702092 O\n0.047593 0.205438 0.035336 O\n0.852424 0.834143 0.358150 O\n0.310449 0.108644 0.776981 O\n0.406112 0.125346 0.195228 O\n0.263436 0.319133 0.628227 O\n0.556463 0.787226 0.578514 O\n0.029856 0.761544 0.566995 O\n0.147576 0.165857 0.641850 O\n0.086602 0.617516 0.364214 O\n0.841823 0.083035 0.994434 O\n0.443537 0.212774 0.421486 O\n0.139473 0.559726 0.488882 O\n0.860527 0.440274 0.511118 O\n0.611231 0.226257 0.196931 O\n0.736564 0.680867 0.371773 O\n0.158177 0.916965 0.005566 O\n0.465060 0.654380 0.801903 O\n0.434250 0.989066 0.022932 O\n0.565750 0.010934 0.977068 O\n0.593888 0.874654 0.804772 O\n0.388769 0.773743 0.803069 O\n0.367508 0.427411 0.312374 O\n0.970144 0.238456 0.433005 O\n0.952407 0.794562 0.964664 O\n",
"nsites": 74,
"nelements": 5,
"elements": [
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"Ce",
"H",
"C",
"O"
],
"chemical_system": "C-Ce-H-O-Rb",
"density": 2.4333155312308072,
"density_atomic": 0.06759587074718564,
"volume": 1094.7414269839996,
"volume_molar": 8.909036444730956,
"formula_full": "Rb8 Ce2 H24 C6 O34",
"formula_reduced": "Rb4CeH12C3O17",
"formula_anonymous": "AB3C4D12E17",
"energy": -421.15403977,
"energy_per_atom": -5.691270807702702,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:29.930000Z",
"spacegroup": 2
},
{
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