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{
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"results": [
{
"id": "mp-757414",
"created_at": "2022-09-04T14:45:13.649169Z",
"structure_string": "Mg4 Co14 O24\n1.0\n5.808018 0.000000 0.000000\n-2.903430 5.045825 0.000000\n-0.038849 -0.035106 14.159625\nMg Co O\n4 14 24\ndirect\n0.333487 0.661239 0.041979 Mg\n0.165938 0.834879 0.209734 Mg\n0.832837 0.664692 0.541163 Mg\n0.498954 0.000694 0.874382 Mg\n0.671707 0.332594 0.085711 Co\n0.165052 0.329518 0.209951 Co\n0.661912 0.334494 0.333133 Co\n0.994396 0.994842 0.997918 Co\n0.335966 0.166627 0.542208 Co\n0.831245 0.167599 0.542327 Co\n0.669864 0.833989 0.209191 Co\n0.338467 0.672898 0.416535 Co\n0.667173 0.334386 0.706850 Co\n0.999457 0.005523 0.374302 Co\n0.328811 0.657079 0.666889 Co\n0.500773 0.500408 0.873428 Co\n0.999504 0.500616 0.874795 Co\n0.004247 0.010452 0.749362 Co\n0.850739 0.149717 0.287436 O\n0.294517 0.161385 0.292200 O\n0.491373 0.505815 0.136215 O\n0.017270 0.495068 0.131358 O\n0.152937 0.307371 0.463466 O\n0.503835 0.984254 0.129950 O\n0.342446 0.658868 0.282956 O\n0.990293 0.006025 0.133531 O\n0.516969 0.033020 0.620281 O\n0.838926 0.703880 0.292944 O\n0.658134 0.314174 0.470465 O\n0.505881 0.469667 0.622633 O\n0.964674 0.470171 0.623069 O\n0.363419 0.194261 0.790525 O\n0.831791 0.195466 0.790727 O\n0.166011 0.859039 0.457337 O\n0.695369 0.861738 0.458890 O\n0.819359 0.638700 0.794008 O\n0.675494 0.348419 0.949768 O\n0.009334 0.017222 0.615710 O\n0.174999 0.347989 0.947349 O\n0.324999 0.651363 0.803476 O\n0.161642 0.813320 0.953705 O\n0.649805 0.810542 0.952145 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Mg",
"Co",
"O"
],
"chemical_system": "Co-Mg-O",
"density": 5.227213881863075,
"density_atomic": 0.10121325707394158,
"volume": 414.96540289496664,
"volume_molar": 5.949952539913334,
"formula_full": "Mg4 Co14 O24",
"formula_reduced": "Mg2Co7O12",
"formula_anonymous": "A2B7C12",
"energy": -292.74836827,
"energy_per_atom": -6.97019924452381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -253.32836827,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 21.9989962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.610000Z",
"spacegroup": 1
},
{
"id": "mp-757413",
"created_at": "2022-09-04T14:46:58.181378Z",
"structure_string": "Li4 Si8 Ni8 O26\n1.0\n6.750400 0.000000 0.000000\n1.671447 7.688182 0.000000\n1.634345 3.650664 9.311339\nLi Si Ni O\n4 8 8 26\ndirect\n0.778788 0.500765 0.882296 Li\n0.248619 0.968246 0.575538 Li\n0.751381 0.031754 0.424462 Li\n0.221212 0.499235 0.117704 Li\n0.271009 0.582886 0.821356 Si\n0.727559 0.860852 0.713999 Si\n0.379810 0.159571 0.716084 Si\n0.921646 0.170487 0.715064 Si\n0.078354 0.829513 0.284936 Si\n0.620190 0.840429 0.283916 Si\n0.272441 0.139148 0.286001 Si\n0.728991 0.417114 0.178644 Si\n0.087089 0.190816 0.992458 Ni\n0.571428 0.194318 0.988132 Ni\n0.578249 0.555576 0.615314 Ni\n0.079877 0.558986 0.613115 Ni\n0.920123 0.441014 0.386885 Ni\n0.421751 0.444424 0.384686 Ni\n0.428572 0.805682 0.011868 Ni\n0.912911 0.809184 0.007542 Ni\n0.858437 0.116848 0.886725 O\n0.209130 0.705100 0.926343 O\n0.507469 0.465272 0.841434 O\n0.092232 0.455059 0.837142 O\n0.716499 0.760742 0.888056 O\n0.390272 0.101453 0.887524 O\n0.861337 0.387105 0.608009 O\n0.405649 0.368939 0.607214 O\n0.280173 0.706260 0.645651 O\n0.791051 0.724538 0.623510 O\n0.164551 0.123140 0.693570 O\n0.512267 0.995384 0.656866 O\n0.875729 0.021111 0.651420 O\n0.124271 0.978889 0.348580 O\n0.487733 0.004616 0.343134 O\n0.835449 0.876860 0.306430 O\n0.208949 0.275462 0.376490 O\n0.719827 0.293740 0.354349 O\n0.594351 0.631061 0.392786 O\n0.138663 0.612895 0.391991 O\n0.609728 0.898547 0.112476 O\n0.283501 0.239258 0.111944 O\n0.907768 0.544941 0.162858 O\n0.492531 0.534728 0.158566 O\n0.790870 0.294900 0.073657 O\n0.141563 0.883152 0.113275 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 3.9103737790050346,
"density_atomic": 0.09519026361789731,
"volume": 483.2426999535198,
"volume_molar": 6.3264251312229165,
"formula_full": "Li4 Si8 Ni8 O26",
"formula_reduced": "Li2Si4Ni4O13",
"formula_anonymous": "A2B4C4D13",
"energy": -337.6684984,
"energy_per_atom": -7.340619530434782,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -299.4784984,
"band_gap": 3.0563,
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"is_magnetic": true,
"total_magnetization": 16.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.647000Z",
"spacegroup": 2
},
{
"id": "mp-757412",
"created_at": "2022-09-04T14:42:54.330276Z",
"structure_string": "Mn3 Co1 P4 O16\n1.0\n6.024426 0.000000 0.000000\n0.000000 4.895832 0.000000\n0.000000 0.039026 9.820499\nMn Co P O\n3 1 4 16\ndirect\n0.000000 0.432771 0.785526 Mn\n0.500000 0.558941 0.220416 Mn\n0.500000 0.934199 0.714382 Mn\n0.000000 0.033216 0.275470 Co\n0.500000 0.088107 0.398271 P\n0.500000 0.418323 0.900928 P\n0.000000 0.581009 0.099928 P\n0.000000 0.919112 0.599758 P\n0.500000 0.147105 0.552700 O\n0.297714 0.229678 0.328769 O\n0.702286 0.229678 0.328769 O\n0.000000 0.230189 0.619568 O\n0.000000 0.270198 0.121965 O\n0.300095 0.275041 0.829373 O\n0.699905 0.275041 0.829373 O\n0.500000 0.355207 0.054449 O\n0.000000 0.648261 0.947108 O\n0.801395 0.729789 0.171583 O\n0.198605 0.729789 0.171583 O\n0.500000 0.730146 0.880914 O\n0.500000 0.773568 0.381781 O\n0.800387 0.774938 0.671127 O\n0.199613 0.774938 0.671127 O\n0.000000 0.860757 0.445134 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Co",
"P",
"O"
],
"chemical_system": "Co-Mn-O-P",
"density": 3.460558341401984,
"density_atomic": 0.08285820203348888,
"volume": 289.6514697519009,
"volume_molar": 7.26800800911179,
"formula_full": "Mn3 Co1 P4 O16",
"formula_reduced": "Mn3Co(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy": -190.53042724,
"energy_per_atom": -7.938767801666667,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.89642724,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.6831877,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.121000Z",
"spacegroup": 6
},
{
"id": "mp-757411",
"created_at": "2022-09-04T14:46:14.088364Z",
"structure_string": "Li8 Co4 P8 O28\n1.0\n5.067446 -0.153105 0.226856\n2.237663 3.101431 7.951071\n-0.749554 -13.259809 0.586866\nLi Co P O\n8 4 8 28\ndirect\n0.428958 0.010697 0.338887 Li\n0.928795 0.011147 0.838691 Li\n0.571098 0.989240 0.661150 Li\n0.071163 0.988860 0.161326 Li\n0.119589 0.756643 0.556601 Li\n0.619649 0.756334 0.056568 Li\n0.880057 0.243402 0.443339 Li\n0.380163 0.243748 0.943377 Li\n0.397107 0.337281 0.587386 Co\n0.602968 0.662649 0.412659 Co\n0.897356 0.335439 0.086838 Co\n0.102675 0.664270 0.913205 Co\n0.216732 0.392401 0.370860 P\n0.716225 0.393251 0.870971 P\n0.783333 0.607539 0.629174 P\n0.283854 0.606764 0.128976 P\n0.480990 0.144939 0.149708 P\n0.980969 0.145395 0.649600 P\n0.518905 0.855112 0.850329 P\n0.019113 0.854559 0.350366 P\n0.902605 0.437474 0.366273 O\n0.402097 0.437804 0.866121 O\n0.097418 0.562362 0.633828 O\n0.598011 0.562204 0.133892 O\n0.320311 0.541931 0.424333 O\n0.820321 0.542526 0.924495 O\n0.679569 0.458094 0.575677 O\n0.179867 0.457518 0.075266 O\n0.314405 0.254313 0.424240 O\n0.813642 0.255160 0.924524 O\n0.686039 0.745588 0.575739 O\n0.186337 0.745070 0.075567 O\n0.233673 0.840023 0.872886 O\n0.733799 0.839403 0.372841 O\n0.766156 0.160087 0.127148 O\n0.266328 0.160536 0.627186 O\n0.991140 0.993630 0.683675 O\n0.491438 0.993150 0.183705 O\n0.008839 0.006371 0.316321 O\n0.508536 0.006889 0.816309 O\n0.345395 0.313740 0.250249 O\n0.845369 0.314297 0.750292 O\n0.654428 0.686321 0.749756 O\n0.154558 0.685681 0.249645 O\n0.213709 0.846351 0.439566 O\n0.713671 0.846606 0.939409 O\n0.786458 0.153634 0.560383 O\n0.286182 0.153567 0.060658 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.0442637216142177,
"density_atomic": 0.08915429411435766,
"volume": 538.3924630532176,
"volume_molar": 6.754739992978283,
"formula_full": "Li8 Co4 P8 O28",
"formula_reduced": "Li2CoP2O7",
"formula_anonymous": "AB2C2D7",
"energy": -344.1674138,
"energy_per_atom": -7.170154454166667,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -318.3794138,
"band_gap": 2.6292,
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"is_magnetic": true,
"total_magnetization": 0.0001509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.443000Z",
"spacegroup": 2
},
{
"id": "mp-757410",
"created_at": "2022-09-04T14:43:00.168425Z",
"structure_string": "V2 F8\n1.0\n3.038192 4.890251 0.000000\n-3.038192 4.890251 0.000000\n0.000000 0.046047 4.987223\nV F\n2 8\ndirect\n0.338980 0.661020 0.250000 V\n0.661020 0.338980 0.750000 V\n0.694860 0.510794 0.426590 F\n0.254349 0.971117 0.378888 F\n0.028883 0.745651 0.121112 F\n0.489206 0.305140 0.073410 F\n0.971117 0.254349 0.878888 F\n0.510794 0.694860 0.926590 F\n0.305140 0.489206 0.573410 F\n0.745651 0.028883 0.621112 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"V",
"F"
],
"chemical_system": "F-V",
"density": 2.844629545827381,
"density_atomic": 0.06747841146184172,
"volume": 148.19554555837294,
"volume_molar": 8.924544353575147,
"formula_full": "V2 F8",
"formula_reduced": "VF4",
"formula_anonymous": "AB4",
"energy": -62.95233693,
"energy_per_atom": -6.295233693,
"energy_above_hull": null,
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"energy_uncorrected": -55.85633693,
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"is_magnetic": true,
"total_magnetization": 2.0001048,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.019000Z",
"spacegroup": 15
},
{
"id": "mp-757409",
"created_at": "2022-09-04T14:41:10.174811Z",
"structure_string": "Li8 Mn6 Sn2 O16\n1.0\n-0.070978 -3.273724 5.198328\n1.857609 -2.698824 -5.198837\n8.725840 2.608048 5.006801\nLi Mn Sn O\n8 6 2 16\ndirect\n0.250064 0.749992 0.250024 Li\n0.750062 0.249991 0.749974 Li\n0.749977 0.249974 0.250057 Li\n0.249994 0.749961 0.749985 Li\n0.750177 0.750063 0.749954 Li\n0.250185 0.250100 0.249967 Li\n0.249936 0.249766 0.749971 Li\n0.749893 0.749760 0.249991 Li\n0.000128 0.000092 0.499763 Mn\n0.999983 0.500006 0.000000 Mn\n0.499906 0.999950 0.999976 Mn\n0.500139 0.500178 0.999794 Mn\n0.499995 0.999952 0.500003 Mn\n0.000017 0.500008 0.499993 Mn\n0.500017 0.499960 0.500059 Sn\n0.999988 0.000017 0.000065 Sn\n0.348189 0.651881 0.898446 O\n0.848204 0.151894 0.398471 O\n0.151669 0.848206 0.601588 O\n0.651672 0.348177 0.101569 O\n0.889679 0.110562 0.866500 O\n0.389648 0.610606 0.366535 O\n0.610301 0.389385 0.633575 O\n0.110271 0.889413 0.133599 O\n0.868999 0.612948 0.386675 O\n0.368988 0.112918 0.886665 O\n0.386933 0.131086 0.386730 O\n0.886954 0.631093 0.886723 O\n0.630925 0.887088 0.113369 O\n0.130939 0.387083 0.613376 O\n0.113079 0.368954 0.113302 O\n0.613086 0.868940 0.613309 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn",
"density": 4.467501700719914,
"density_atomic": 0.09799205916726937,
"volume": 326.5570728070629,
"volume_molar": 6.1455395581803165,
"formula_full": "Li8 Mn6 Sn2 O16",
"formula_reduced": "Li4Mn3SnO8",
"formula_anonymous": "AB3C4D8",
"energy": -225.56870877,
"energy_per_atom": -7.0490221490625,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -204.56870877,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.87e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.133000Z",
"spacegroup": 12
},
{
"id": "mp-757408",
"created_at": "2022-09-04T14:44:21.882573Z",
"structure_string": "Li2 Fe5 Si4 O14\n1.0\n-1.469178 -0.786142 5.287838\n7.566143 -0.052805 0.122284\n-3.354316 7.385662 -0.063379\nLi Fe Si O\n2 5 4 14\ndirect\n0.230514 0.100840 0.455250 Li\n0.769489 0.899164 0.544756 Li\n0.074423 0.387739 0.810234 Fe\n0.925576 0.612252 0.189764 Fe\n0.000001 0.999999 0.000003 Fe\n0.636310 0.583078 0.704736 Fe\n0.363680 0.416920 0.295264 Fe\n0.499641 0.223361 0.862570 Si\n0.500360 0.776637 0.137428 Si\n0.789494 0.210219 0.391736 Si\n0.210508 0.789783 0.608264 Si\n0.884178 0.180272 0.568482 O\n0.115821 0.819732 0.431519 O\n0.792496 0.339025 0.960666 O\n0.207502 0.660977 0.039337 O\n0.527542 0.018924 0.277122 O\n0.472465 0.981076 0.722874 O\n0.407549 0.325779 0.736498 O\n0.592450 0.674218 0.263499 O\n0.022116 0.186391 0.268482 O\n0.977888 0.813612 0.731521 O\n0.696254 0.412354 0.439033 O\n0.303746 0.587646 0.560965 O\n0.313045 0.227315 0.017222 O\n0.686951 0.772687 0.982774 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.533261305639096,
"density_atomic": 0.08451074228359741,
"volume": 295.8203812256921,
"volume_molar": 7.125887901671916,
"formula_full": "Li2 Fe5 Si4 O14",
"formula_reduced": "Li2Fe5(Si2O7)2",
"formula_anonymous": "A2B4C5D14",
"energy": -198.89373596,
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"energy_uncorrected": -177.99573596,
"band_gap": 2.8575000000000004,
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"updated_at": "2021-11-28T01:36:25.274000Z",
"spacegroup": 2
},
{
"id": "mp-757407",
"created_at": "2022-09-04T14:41:59.562594Z",
"structure_string": "Sr8 Tl8 O20\n1.0\n14.124099 0.000000 0.000000\n0.000000 6.099028 0.000000\n0.000000 2.013949 6.792972\nSr Tl O\n8 8 20\ndirect\n0.113298 0.546091 0.864243 Sr\n0.763282 0.936859 0.762227 Sr\n0.886702 0.453909 0.135757 Sr\n0.236718 0.063141 0.237773 Sr\n0.386702 0.546091 0.364243 Sr\n0.736718 0.936859 0.262227 Sr\n0.263282 0.063141 0.737773 Sr\n0.613298 0.453909 0.635757 Sr\n0.393105 0.545027 0.863335 Tl\n0.000000 0.000000 0.000000 Tl\n0.606895 0.454973 0.136665 Tl\n0.500000 0.000000 0.000000 Tl\n0.106895 0.545027 0.363335 Tl\n0.500000 0.000000 0.500000 Tl\n0.893105 0.454973 0.636665 Tl\n0.000000 0.000000 0.500000 Tl\n0.638557 0.166146 0.964342 O\n0.265697 0.359364 0.917587 O\n0.945858 0.733199 0.814757 O\n0.860953 0.150019 0.962838 O\n0.534659 0.707939 0.823572 O\n0.361443 0.833854 0.035658 O\n0.054142 0.266801 0.185243 O\n0.139047 0.849981 0.037162 O\n0.465341 0.292061 0.176428 O\n0.734303 0.640636 0.082413 O\n0.639047 0.150019 0.462838 O\n0.861443 0.166146 0.464342 O\n0.234303 0.359364 0.417587 O\n0.554142 0.733199 0.314757 O\n0.965341 0.707939 0.323572 O\n0.034659 0.292061 0.676428 O\n0.445858 0.266801 0.685243 O\n0.765697 0.640636 0.582413 O\n0.138557 0.833854 0.535658 O\n0.360953 0.849981 0.537162 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"O"
],
"chemical_system": "O-Sr-Tl",
"density": 7.536996578630155,
"density_atomic": 0.06152070393571837,
"volume": 585.1688569366113,
"volume_molar": 9.788803402334933,
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{
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}