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{
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"results": [
{
"id": "mp-7198",
"created_at": "2022-09-04T14:46:08.705907Z",
"structure_string": "Sr4 P4 Se12\n1.0\n7.912950 0.000000 0.000000\n0.000000 7.130226 0.000000\n0.000000 6.813459 9.904492\nSr P Se\n4 4 12\ndirect\n0.890388 0.716115 0.748853 Sr\n0.390388 0.283885 0.751147 Sr\n0.109612 0.283885 0.251147 Sr\n0.609612 0.716115 0.248853 Sr\n0.894264 0.378093 0.563648 P\n0.394264 0.621907 0.936352 P\n0.105736 0.621907 0.436352 P\n0.605736 0.378093 0.063648 P\n0.498650 0.132593 0.265448 Se\n0.998650 0.867407 0.234552 Se\n0.501350 0.867407 0.734552 Se\n0.001350 0.132593 0.765448 Se\n0.699542 0.224310 0.958618 Se\n0.199542 0.775690 0.541382 Se\n0.300458 0.775690 0.041382 Se\n0.800458 0.224310 0.458618 Se\n0.802089 0.606190 0.055368 Se\n0.302089 0.393810 0.444632 Se\n0.197911 0.393810 0.944632 Se\n0.697911 0.606190 0.555368 Se\n",
"nsites": 20,
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"elements": [
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"density": 4.225155689955625,
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"volume": 558.8225497635756,
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"formula_full": "Sr4 P4 Se12",
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"updated_at": "2021-11-28T01:37:25.345000Z",
"spacegroup": 14
},
{
"id": "mp-1209002",
"created_at": "2022-09-04T14:46:13.148176Z",
"structure_string": "Sr4 P6 Pb6 O26\n1.0\n4.948700 -8.571400 0.000000\n4.948700 8.571400 0.000000\n0.000000 0.000000 7.425643\nSr P Pb O\n4 6 6 26\ndirect\n0.333333 0.666667 0.504593 Sr\n0.666667 0.333333 0.495407 Sr\n0.666667 0.333333 0.004593 Sr\n0.333333 0.666667 0.995407 Sr\n0.410683 0.034356 0.750000 P\n0.589317 0.965644 0.250000 P\n0.965644 0.376327 0.750000 P\n0.034356 0.623673 0.250000 P\n0.623673 0.589317 0.750000 P\n0.376327 0.410683 0.250000 P\n0.239708 0.233782 0.750000 Pb\n0.760292 0.766218 0.250000 Pb\n0.766218 0.005926 0.750000 Pb\n0.233782 0.994074 0.250000 Pb\n0.994074 0.760292 0.750000 Pb\n0.005926 0.239708 0.250000 Pb\n0.142800 0.492945 0.750000 O\n0.857200 0.507055 0.250000 O\n0.507055 0.649855 0.750000 O\n0.492945 0.350145 0.250000 O\n0.350145 0.857200 0.750000 O\n0.649855 0.142800 0.250000 O\n0.593435 0.128360 0.750000 O\n0.406565 0.871640 0.250000 O\n0.871640 0.465076 0.750000 O\n0.128360 0.534924 0.250000 O\n0.534924 0.406565 0.750000 O\n0.465076 0.593435 0.250000 O\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n0.354665 0.088206 0.580977 O\n0.645335 0.911794 0.419023 O\n0.911794 0.266459 0.580977 O\n0.645335 0.911794 0.080977 O\n0.088206 0.733541 0.419023 O\n0.354665 0.088206 0.919023 O\n0.733541 0.645335 0.580977 O\n0.088206 0.733541 0.080977 O\n0.266459 0.354665 0.419023 O\n0.911794 0.266459 0.919023 O\n0.266459 0.354665 0.080977 O\n0.733541 0.645335 0.919023 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
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],
"chemical_system": "O-P-Pb-Sr",
"density": 5.787312940948703,
"density_atomic": 0.06667182439325382,
"volume": 629.9512632543135,
"volume_molar": 9.03251233156498,
"formula_full": "Sr4 P6 Pb6 O26",
"formula_reduced": "Sr2P3Pb3O13",
"formula_anonymous": "A2B3C3D13",
"energy": -301.49259946,
"energy_per_atom": -7.178395225238096,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -283.63059946,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.906000Z",
"spacegroup": 176
},
{
"id": "mp-1179773",
"created_at": "2022-09-04T14:39:44.449232Z",
"structure_string": "Sr4 P6 Pd6\n1.0\n-2.112643 2.130275 17.309749\n2.112643 -2.130275 17.309749\n2.112643 2.130275 -17.309749\nSr P Pd\n4 6 6\ndirect\n0.572770 0.572770 0.000000 Sr\n0.427230 0.427230 0.000000 Sr\n0.677660 0.177660 0.500000 Sr\n0.322340 0.822340 0.500000 Sr\n0.145999 0.645999 0.500000 P\n0.854001 0.354001 0.500000 P\n0.788690 0.288690 0.500000 P\n0.211310 0.711310 0.500000 P\n0.040319 0.040319 0.000000 P\n0.959681 0.959681 0.000000 P\n0.000000 0.500000 0.500000 Pd\n0.750611 0.750611 0.000000 Pd\n0.249389 0.249389 0.000000 Pd\n0.110160 0.110160 0.000000 Pd\n0.889840 0.889840 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"P",
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],
"chemical_system": "P-Pd-Sr",
"density": 6.260603870179592,
"density_atomic": 0.051346096793436734,
"volume": 311.6108331343539,
"volume_molar": 11.728526871724696,
"formula_full": "Sr4 P6 Pd6",
"formula_reduced": "Sr2(PPd)3",
"formula_anonymous": "A2B3C3",
"energy": -84.69662051,
"energy_per_atom": -5.293538781875,
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"energy_uncorrected": -84.69662051,
"band_gap": 0.0,
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"total_magnetization": 8.27e-05,
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"updated_at": "2021-11-28T01:34:44.625000Z",
"spacegroup": 71
},
{
"id": "mp-556776",
"created_at": "2022-09-04T14:40:09.630107Z",
"structure_string": "Sr4 P8 O24\n1.0\n11.069831 0.000000 0.000000\n0.000000 4.558750 0.000000\n0.000000 0.282656 10.513655\nSr P O\n4 8 24\ndirect\n0.807383 0.031678 0.985349 Sr\n0.192617 0.968322 0.014651 Sr\n0.692617 0.031678 0.485349 Sr\n0.307383 0.968322 0.514651 Sr\n0.349364 0.436553 0.793360 P\n0.650636 0.563447 0.206640 P\n0.986711 0.930892 0.283551 P\n0.013289 0.069108 0.716449 P\n0.849364 0.563447 0.706640 P\n0.486711 0.069108 0.216449 P\n0.513289 0.930892 0.783551 P\n0.150636 0.436553 0.293360 P\n0.890703 0.896798 0.669236 O\n0.484618 0.041954 0.359891 O\n0.515382 0.958046 0.640109 O\n0.249442 0.500637 0.386554 O\n0.015382 0.041954 0.859891 O\n0.378898 0.983832 0.142545 O\n0.749442 0.499363 0.113446 O\n0.027541 0.607280 0.331029 O\n0.109297 0.103202 0.330764 O\n0.750558 0.499363 0.613446 O\n0.327757 0.469023 0.652682 O\n0.984618 0.958046 0.140109 O\n0.827757 0.530977 0.847318 O\n0.621102 0.016168 0.857455 O\n0.609297 0.896798 0.169236 O\n0.472459 0.607280 0.831029 O\n0.878898 0.016168 0.357455 O\n0.672243 0.530977 0.347318 O\n0.390703 0.103202 0.830764 O\n0.972459 0.392720 0.668971 O\n0.250558 0.500637 0.886554 O\n0.527541 0.392720 0.168971 O\n0.121102 0.983832 0.642545 O\n0.172243 0.469023 0.152682 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"P",
"O"
],
"chemical_system": "O-P-Sr",
"density": 3.0742074069432053,
"density_atomic": 0.0678518997880159,
"volume": 530.5673107528579,
"volume_molar": 8.875419522245478,
"formula_full": "Sr4 P8 O24",
"formula_reduced": "Sr(PO3)2",
"formula_anonymous": "AB2C6",
"energy": -276.49493489,
"energy_per_atom": -7.680414858055556,
"energy_above_hull": null,
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"energy_uncorrected": -260.00693489,
"band_gap": 5.319599999999999,
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"updated_at": "2021-11-28T01:34:50.295000Z",
"spacegroup": 14
},
{
"id": "mp-1208663",
"created_at": "2022-09-04T14:40:16.417615Z",
"structure_string": "Sr4 P8 Pd4 O28\n1.0\n6.073591 0.000000 0.000000\n0.000000 7.436712 0.000000\n0.000000 0.000000 13.606417\nSr P Pd O\n4 8 4 28\ndirect\n0.250000 0.743372 0.241991 Sr\n0.750000 0.256628 0.758009 Sr\n0.750000 0.243372 0.258009 Sr\n0.250000 0.756628 0.741991 Sr\n0.250000 0.284167 0.122216 P\n0.750000 0.715833 0.877784 P\n0.750000 0.784167 0.377784 P\n0.250000 0.215833 0.622216 P\n0.250000 0.177074 0.410743 P\n0.750000 0.822926 0.589257 P\n0.750000 0.677074 0.089257 P\n0.250000 0.322926 0.910743 P\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.250000 0.026206 0.338396 O\n0.750000 0.973794 0.661604 O\n0.750000 0.526206 0.161604 O\n0.250000 0.473794 0.838396 O\n0.250000 0.403326 0.022372 O\n0.750000 0.596674 0.977628 O\n0.750000 0.903326 0.477628 O\n0.250000 0.096674 0.522372 O\n0.250000 0.410357 0.208132 O\n0.750000 0.589643 0.791868 O\n0.750000 0.910357 0.291868 O\n0.250000 0.089643 0.708132 O\n0.034457 0.290557 0.403046 O\n0.965543 0.709443 0.596954 O\n0.965543 0.790557 0.096954 O\n0.534457 0.709443 0.596954 O\n0.034457 0.209443 0.903046 O\n0.465543 0.290557 0.403046 O\n0.465543 0.209443 0.903046 O\n0.534457 0.790557 0.096954 O\n0.037677 0.165937 0.120284 O\n0.962323 0.834063 0.879716 O\n0.962323 0.665937 0.379716 O\n0.537677 0.834063 0.879716 O\n0.037677 0.334063 0.620284 O\n0.462323 0.165937 0.120284 O\n0.462323 0.334063 0.620284 O\n0.537677 0.665937 0.379716 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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],
"chemical_system": "O-P-Pd-Sr",
"density": 3.9771039674649864,
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"volume": 614.5684803395374,
"volume_molar": 8.411404307418152,
"formula_full": "Sr4 P8 Pd4 O28",
"formula_reduced": "SrP2PdO7",
"formula_anonymous": "ABC2D7",
"energy": -324.02092701,
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"updated_at": "2021-11-28T01:34:56.628000Z",
"spacegroup": 62
},
{
"id": "mp-1194990",
"created_at": "2022-09-04T14:41:19.040367Z",
"structure_string": "Sr4 P8 Pt24\n1.0\n8.588049 0.000000 0.000000\n0.000000 8.588049 0.000000\n0.000000 0.000000 8.588049\nSr P Pt\n4 8 24\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.806274 0.306274 0.193726 P\n0.193726 0.806274 0.306274 P\n0.693726 0.693726 0.693726 P\n0.306274 0.193726 0.806274 P\n0.193726 0.693726 0.806274 P\n0.806274 0.193726 0.693726 P\n0.306274 0.306274 0.306274 P\n0.693726 0.806274 0.193726 P\n0.421091 0.843739 0.157096 Pt\n0.578909 0.343739 0.342904 Pt\n0.078909 0.156261 0.657096 Pt\n0.921091 0.656261 0.842904 Pt\n0.157096 0.421091 0.843739 Pt\n0.342904 0.578909 0.343739 Pt\n0.657096 0.078909 0.156261 Pt\n0.842904 0.921091 0.656261 Pt\n0.843739 0.157096 0.421091 Pt\n0.343739 0.342904 0.578909 Pt\n0.156261 0.657096 0.078909 Pt\n0.656261 0.842904 0.921091 Pt\n0.578909 0.156261 0.842904 Pt\n0.421091 0.656261 0.657096 Pt\n0.921091 0.843739 0.342904 Pt\n0.078909 0.343739 0.157096 Pt\n0.842904 0.578909 0.156261 Pt\n0.657096 0.421091 0.656261 Pt\n0.342904 0.921091 0.843739 Pt\n0.157096 0.078909 0.343739 Pt\n0.156261 0.842904 0.578909 Pt\n0.656261 0.657096 0.421091 Pt\n0.843739 0.342904 0.921091 Pt\n0.343739 0.157096 0.078909 Pt\n",
"nsites": 36,
"nelements": 3,
"elements": [
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],
"chemical_system": "P-Pt-Sr",
"density": 13.842770236277431,
"density_atomic": 0.056835405086738844,
"volume": 633.4079953342274,
"volume_molar": 10.595755851144835,
"formula_full": "Sr4 P8 Pt24",
"formula_reduced": "Sr(PPt3)2",
"formula_anonymous": "AB2C6",
"energy": -219.44204953,
"energy_per_atom": -6.095612486944444,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:10.452000Z",
"spacegroup": 205
},
{
"id": "mp-20944",
"created_at": "2022-09-04T14:48:15.938065Z",
"structure_string": "Sr4 Pb2 O8\n1.0\n3.558076 0.000000 0.000000\n0.000000 6.238419 0.000000\n0.000000 0.000000 10.238170\nSr Pb O\n4 2 8\ndirect\n0.500000 0.426667 0.818712 Sr\n0.500000 0.573333 0.181288 Sr\n0.500000 0.926667 0.681288 Sr\n0.500000 0.073333 0.318712 Sr\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.135472 0.806306 O\n0.000000 0.864528 0.193694 O\n0.000000 0.635472 0.693694 O\n0.000000 0.364528 0.306306 O\n0.500000 0.274497 0.551355 O\n0.500000 0.725503 0.448645 O\n0.500000 0.225503 0.051355 O\n0.500000 0.774497 0.948645 O\n",
"nsites": 14,
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"elements": [
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"Pb",
"O"
],
"chemical_system": "O-Pb-Sr",
"density": 6.524207429649726,
"density_atomic": 0.06160499664825788,
"volume": 227.2542936725556,
"volume_molar": 9.775409605789337,
"formula_full": "Sr4 Pb2 O8",
"formula_reduced": "Sr2PbO4",
"formula_anonymous": "AB2C4",
"energy": -88.30344190999999,
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"updated_at": "2021-11-28T01:40:03.396000Z",
"spacegroup": 55
},
{
"id": "mp-20489",
"created_at": "2022-09-04T14:40:18.856600Z",
"structure_string": "Sr4 Pb4 O12\n1.0\n5.949291 0.000000 0.000000\n0.000000 6.109614 0.000000\n0.000000 0.000000 8.469878\nSr Pb O\n4 4 12\ndirect\n0.486774 0.051540 0.750000 Sr\n0.986774 0.448460 0.250000 Sr\n0.513226 0.948460 0.250000 Sr\n0.013226 0.551540 0.750000 Sr\n0.000000 0.000000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.602073 0.458386 0.750000 O\n0.300850 0.797487 0.946414 O\n0.102073 0.041614 0.250000 O\n0.199150 0.297487 0.946414 O\n0.300850 0.797487 0.553586 O\n0.897927 0.958386 0.750000 O\n0.800850 0.702513 0.053586 O\n0.699150 0.202513 0.053586 O\n0.397927 0.541614 0.250000 O\n0.800850 0.702513 0.446414 O\n0.699150 0.202513 0.446414 O\n0.199150 0.297487 0.553586 O\n",
"nsites": 20,
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"density": 7.396339188472635,
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"formula_full": "Sr4 Pb4 O12",
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"updated_at": "2021-11-28T01:34:49.432000Z",
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},
{
"id": "mp-669913",
"created_at": "2022-09-04T14:44:17.598372Z",
"structure_string": "Sr4 Pb6\n1.0\n8.418496 0.000000 0.000000\n0.000000 8.418496 0.000000\n0.000000 0.000000 4.999754\nSr Pb\n4 6\ndirect\n0.673076 0.173076 0.000000 Sr\n0.173076 0.326924 0.000000 Sr\n0.826924 0.673076 0.000000 Sr\n0.326924 0.826924 0.000000 Sr\n0.128900 0.628900 0.500000 Pb\n0.871100 0.371100 0.500000 Pb\n0.628900 0.871100 0.500000 Pb\n0.000000 0.000000 0.500000 Pb\n0.371100 0.128900 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n",
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"elements": [
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"density": 7.4684858696581955,
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"volume": 354.33794022565405,
"volume_molar": 21.33872952647355,
"formula_full": "Sr4 Pb6",
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"formula_anonymous": "A2B3",
"energy": -33.48543241,
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},
{
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"created_at": "2022-09-04T14:40:24.296888Z",
"structure_string": "Sr4 Pr1 Mn5 O15\n1.0\n2.746459 8.248014 0.000000\n-2.746459 8.248014 0.000000\n0.000000 1.836322 6.467842\nSr Pr Mn O\n4 1 5 15\ndirect\n0.100672 0.100672 0.099173 Sr\n0.700384 0.700384 0.700349 Sr\n0.299616 0.299616 0.299651 Sr\n0.899328 0.899328 0.900827 Sr\n0.500000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Mn\n0.299344 0.299344 0.801461 Mn\n0.899181 0.899181 0.399937 Mn\n0.100819 0.100819 0.600063 Mn\n0.700656 0.700656 0.198539 Mn\n0.304093 0.792759 0.792762 O\n0.110289 0.598707 0.597435 O\n0.695907 0.207241 0.207238 O\n0.889711 0.401293 0.402565 O\n0.500000 0.000000 0.000000 O\n0.402558 0.402558 0.890742 O\n0.200201 0.200201 0.698009 O\n0.799799 0.799799 0.301991 O\n0.000000 0.000000 0.500000 O\n0.597442 0.597442 0.109258 O\n0.207241 0.695907 0.207238 O\n0.000000 0.500000 0.000000 O\n0.598707 0.110289 0.597435 O\n0.792759 0.304093 0.792762 O\n0.401293 0.889711 0.402565 O\n",
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"elements": [
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"density": 5.70118197501924,
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"formula_full": "Sr4 Pr1 Mn5 O15",
"formula_reduced": "Sr4PrMn5O15",
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{
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"created_at": "2022-09-04T14:39:24.461392Z",
"structure_string": "Sr4 Pr2 Bi2 O12\n1.0\n6.029224 -0.004086 0.017556\n0.003472 6.205137 -0.004305\n0.038966 0.005017 8.655469\nSr Pr Bi O\n4 2 2 12\ndirect\n0.512870 0.548484 0.251063 Sr\n0.987114 0.048473 0.248934 Sr\n0.487130 0.451516 0.748937 Sr\n0.012886 0.951527 0.751066 Sr\n0.500000 0.000000 0.000000 Pr\n-0.000000 0.500000 0.500000 Pr\n-0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.183291 0.212679 0.942917 O\n0.316701 0.712676 0.557068 O\n0.816709 0.787321 0.057083 O\n0.683299 0.287324 0.442932 O\n0.286804 0.689535 0.945413 O\n0.213244 0.189490 0.554611 O\n0.713196 0.310465 0.054587 O\n0.786756 0.810510 0.445389 O\n0.395494 0.957375 0.264010 O\n0.104481 0.457351 0.235965 O\n0.604506 0.042625 0.735990 O\n0.895519 0.542649 0.764035 O\n",
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"formula_full": "Sr4 Pr2 Bi2 O12",
"formula_reduced": "Sr2PrBiO6",
"formula_anonymous": "ABC2D6",
"energy": -138.86051265,
"energy_per_atom": -6.9430256325,
"energy_above_hull": null,
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"energy_uncorrected": -130.61651265,
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},
{
"id": "mp-1218794",
"created_at": "2022-09-04T14:47:19.316071Z",
"structure_string": "Sr4 Pr2 Fe6 O18\n1.0\n2.765544 4.796964 0.000000\n-2.765544 4.796964 0.000000\n0.000000 0.148422 13.569239\nSr Pr Fe O\n4 2 6 18\ndirect\n0.832423 0.832423 0.083974 Sr\n0.165214 0.165214 0.417241 Sr\n0.167577 0.167577 0.916026 Sr\n0.834786 0.834786 0.582759 Sr\n0.507566 0.507566 0.750476 Pr\n0.492434 0.492434 0.249524 Pr\n0.166512 0.166512 0.166019 Fe\n0.500000 0.500000 0.500000 Fe\n0.833488 0.833488 0.833981 Fe\n0.500000 0.500000 0.000000 Fe\n0.833298 0.833298 0.334485 Fe\n0.166702 0.166702 0.665515 Fe\n0.324290 0.810115 0.095788 O\n0.650710 0.157342 0.421160 O\n0.974703 0.484617 0.756535 O\n0.189885 0.675710 0.904212 O\n0.515383 0.025297 0.243465 O\n0.842658 0.349290 0.578840 O\n0.810115 0.324290 0.095788 O\n0.157342 0.650710 0.421160 O\n0.484617 0.974703 0.756535 O\n0.675710 0.189885 0.904212 O\n0.025297 0.515383 0.243465 O\n0.349290 0.842658 0.578840 O\n0.679048 0.679048 0.928651 O\n0.014378 0.014378 0.263215 O\n0.351890 0.351890 0.603264 O\n0.320952 0.320952 0.071349 O\n0.648110 0.648110 0.396736 O\n0.985622 0.985622 0.736785 O\n",
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"elements": [
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"O"
],
"chemical_system": "Fe-O-Pr-Sr",
"density": 5.790058636109223,
"density_atomic": 0.08332757351175271,
"volume": 360.0248841491674,
"volume_molar": 7.227068431496597,
"formula_full": "Sr4 Pr2 Fe6 O18",
"formula_reduced": "Sr2Pr(FeO3)3",
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"updated_at": "2021-11-28T01:38:06.581000Z",
"spacegroup": 12
}
]
}