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{
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"results": [
{
"id": "mp-1177909",
"created_at": "2022-09-04T14:42:22.954041Z",
"structure_string": "Li4 Mn2 V2 P6 O24\n1.0\n8.946611 -0.283430 0.215366\n-0.286968 8.578178 0.070813\n3.676359 4.183878 6.168467\nLi Mn V P O\n4 2 2 6 24\ndirect\n0.149492 0.078364 0.584770 Li\n0.578686 0.692374 0.724416 Li\n0.915928 0.972012 0.297201 Li\n0.850891 0.257946 0.824721 Li\n0.055857 0.365738 0.291830 Mn\n0.948636 0.646194 0.702025 Mn\n0.559722 0.850539 0.294400 V\n0.430234 0.151622 0.712549 V\n0.251446 0.030503 0.219194 P\n0.243787 0.452676 0.506030 P\n0.251301 0.758451 0.782644 P\n0.749272 0.252883 0.218716 P\n0.753311 0.543848 0.493306 P\n0.742885 0.970824 0.785416 P\n0.077732 0.841598 0.384958 O\n0.269160 0.111895 0.996227 O\n0.220480 0.168351 0.285082 O\n0.228221 0.493088 0.312878 O\n0.082602 0.450144 0.683635 O\n0.112453 0.792994 0.718029 O\n0.417787 0.982883 0.207798 O\n0.269268 0.258281 0.612991 O\n0.417987 0.615517 0.403091 O\n0.205493 0.553567 0.970511 O\n0.274844 0.907440 0.831150 O\n0.436884 0.805460 0.587003 O\n0.571724 0.202486 0.418142 O\n0.730387 0.105136 0.161403 O\n0.802851 0.456273 0.020615 O\n0.568881 0.388307 0.610988 O\n0.724430 0.740909 0.406892 O\n0.581801 0.025422 0.793216 O\n0.897922 0.219678 0.268884 O\n0.901656 0.540147 0.316346 O\n0.773842 0.498286 0.688659 O\n0.765302 0.828727 0.723570 O\n0.722290 0.893551 0.010412 O\n0.918779 0.158500 0.622359 O\n",
"nsites": 38,
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"elements": [
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"Mn",
"V",
"P",
"O"
],
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"density": 2.9019288555758447,
"density_atomic": 0.08205106300226703,
"volume": 463.1262363895283,
"volume_molar": 7.339503645228351,
"formula_full": "Li4 Mn2 V2 P6 O24",
"formula_reduced": "Li2MnV(PO4)3",
"formula_anonymous": "ABC2D3E12",
"energy": -293.69292117,
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"energy_uncorrected": -270.46892117,
"band_gap": 0.9035,
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"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.341000Z",
"spacegroup": 1
},
{
"id": "mp-1225806",
"created_at": "2022-09-04T14:42:22.955898Z",
"structure_string": "Gd12 Co9\n1.0\n5.663895 -9.810154 0.000000\n5.663895 9.810154 0.000000\n0.000000 0.000000 4.078591\nGd Co\n12 9\ndirect\n0.514324 0.379440 0.250828 Gd\n0.865116 0.485676 0.250828 Gd\n0.620560 0.134884 0.250828 Gd\n0.485676 0.620560 0.749172 Gd\n0.134884 0.514324 0.749172 Gd\n0.379440 0.865116 0.749172 Gd\n0.981273 0.223410 0.249849 Gd\n0.242137 0.018727 0.249849 Gd\n0.776590 0.757863 0.249849 Gd\n0.018727 0.776590 0.750151 Gd\n0.757863 0.981273 0.750151 Gd\n0.223410 0.242137 0.750151 Gd\n0.152897 0.717580 0.253730 Co\n0.564683 0.847103 0.253730 Co\n0.282420 0.435317 0.253730 Co\n0.847103 0.282420 0.746270 Co\n0.435317 0.152897 0.746270 Co\n0.717580 0.564683 0.746270 Co\n0.333333 0.666667 0.246707 Co\n0.666667 0.333333 0.753293 Co\n0.000000 0.000000 0.500000 Co\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Gd",
"Co"
],
"chemical_system": "Co-Gd",
"density": 8.85658348412904,
"density_atomic": 0.046332754922905,
"volume": 453.24306821260194,
"volume_molar": 12.997588358431289,
"formula_full": "Gd12 Co9",
"formula_reduced": "Gd4Co3",
"formula_anonymous": "A3B4",
"energy": -235.71329067,
"energy_per_atom": -11.224442412857142,
"energy_above_hull": null,
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"energy_uncorrected": -235.71329067,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.827000Z",
"spacegroup": 147
},
{
"id": "mp-1215108",
"created_at": "2022-09-04T14:42:22.982483Z",
"structure_string": "Ce8 Fe56 C4\n1.0\n8.753946 0.000000 0.000000\n0.000000 8.753946 0.000000\n0.000000 0.000000 11.783319\nCe Fe C\n8 56 4\ndirect\n0.356401 0.356401 0.000000 Ce\n0.643599 0.643599 0.000000 Ce\n0.143599 0.856401 0.500000 Ce\n0.856401 0.143599 0.500000 Ce\n0.239639 0.760361 0.000000 Ce\n0.760361 0.239639 0.000000 Ce\n0.739639 0.739639 0.500000 Ce\n0.260361 0.260361 0.500000 Ce\n0.065039 0.275390 0.120098 Fe\n0.934961 0.724610 0.879902 Fe\n0.934961 0.724610 0.120098 Fe\n0.224610 0.565039 0.620098 Fe\n0.434961 0.775390 0.379902 Fe\n0.065039 0.275390 0.879902 Fe\n0.775390 0.434961 0.379902 Fe\n0.565039 0.224610 0.620098 Fe\n0.775390 0.434961 0.620098 Fe\n0.565039 0.224610 0.379902 Fe\n0.224610 0.565039 0.379902 Fe\n0.434961 0.775390 0.620098 Fe\n0.275390 0.065039 0.879902 Fe\n0.724610 0.934961 0.120098 Fe\n0.724610 0.934961 0.879902 Fe\n0.275390 0.065039 0.120098 Fe\n0.037278 0.358676 0.323662 Fe\n0.962722 0.641324 0.676338 Fe\n0.962722 0.641324 0.323662 Fe\n0.141324 0.537278 0.823662 Fe\n0.462722 0.858676 0.176338 Fe\n0.037278 0.358676 0.676338 Fe\n0.858676 0.462722 0.176338 Fe\n0.537278 0.141324 0.823662 Fe\n0.858676 0.462722 0.823662 Fe\n0.537278 0.141324 0.176338 Fe\n0.141324 0.537278 0.176338 Fe\n0.462722 0.858676 0.823662 Fe\n0.358676 0.037278 0.676338 Fe\n0.641324 0.962722 0.323662 Fe\n0.641324 0.962722 0.676338 Fe\n0.358676 0.037278 0.323662 Fe\n0.317328 0.317328 0.255054 Fe\n0.682672 0.682672 0.744946 Fe\n0.682672 0.682672 0.255054 Fe\n0.182672 0.817328 0.755054 Fe\n0.182672 0.817328 0.244946 Fe\n0.317328 0.317328 0.744946 Fe\n0.817328 0.182672 0.244946 Fe\n0.817328 0.182672 0.755054 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.097904 0.097904 0.294265 Fe\n0.902096 0.902096 0.705735 Fe\n0.902096 0.902096 0.294265 Fe\n0.402096 0.597904 0.794265 Fe\n0.402096 0.597904 0.205735 Fe\n0.097904 0.097904 0.705735 Fe\n0.597904 0.402096 0.205735 Fe\n0.597904 0.402096 0.794265 Fe\n0.000000 0.000000 0.107252 Fe\n0.000000 0.000000 0.892748 Fe\n0.500000 0.500000 0.607252 Fe\n0.500000 0.500000 0.392748 Fe\n0.124848 0.124848 0.000000 C\n0.875152 0.875152 0.000000 C\n0.375152 0.624848 0.500000 C\n0.624848 0.375152 0.500000 C\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Ce",
"Fe",
"C"
],
"chemical_system": "C-Ce-Fe",
"density": 7.900733361960526,
"density_atomic": 0.07530668857887778,
"volume": 902.9742415081151,
"volume_molar": 7.996820566200153,
"formula_full": "Ce8 Fe56 C4",
"formula_reduced": "Ce2Fe14C",
"formula_anonymous": "AB2C14",
"energy": -560.99329986,
"energy_per_atom": -8.249901468529412,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -560.99329986,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:40.761000Z",
"spacegroup": 136
},
{
"id": "mp-1105156",
"created_at": "2022-09-04T14:42:23.086444Z",
"structure_string": "Eu4 Si10 Pt6\n1.0\n-3.044156 5.090364 5.903736\n3.044156 -5.090364 5.903736\n3.044156 5.090364 -5.903736\nEu Si Pt\n4 10 6\ndirect\n0.104009 0.870645 0.233364 Eu\n0.895991 0.129355 0.766636 Eu\n0.637281 0.370645 0.266636 Eu\n0.362719 0.629355 0.733364 Eu\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.270135 0.020135 0.750000 Si\n0.729865 0.479865 0.750000 Si\n0.729865 0.979865 0.250000 Si\n0.270135 0.520135 0.250000 Si\n0.760753 0.611674 0.149079 Si\n0.239247 0.388326 0.850921 Si\n0.462595 0.111674 0.350921 Si\n0.537405 0.888326 0.649079 Si\n0.500000 0.750000 0.250000 Pt\n0.500000 0.250000 0.750000 Pt\n0.023320 0.635656 0.387664 Pt\n0.976680 0.364344 0.612336 Pt\n0.247992 0.135656 0.112336 Pt\n0.752008 0.864344 0.887664 Pt\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Eu",
"Si",
"Pt"
],
"chemical_system": "Eu-Pt-Si",
"density": 9.344329137816313,
"density_atomic": 0.05465467704454949,
"volume": 365.9339160251159,
"volume_molar": 11.018527755806337,
"formula_full": "Eu4 Si10 Pt6",
"formula_reduced": "Eu2Si5Pt3",
"formula_anonymous": "A2B3C5",
"energy": -148.77912399,
"energy_per_atom": -7.4389561995,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:48.827000Z",
"spacegroup": 72
},
{
"id": "mp-752985",
"created_at": "2022-09-04T14:42:23.172449Z",
"structure_string": "Li1 V3 O5 F1\n1.0\n5.116183 0.032806 -0.040788\n-2.586705 1.434864 4.678693\n2.529515 -4.442583 0.012127\nLi V O F\n1 3 5 1\ndirect\n0.860101 0.599668 0.889859 Li\n0.172623 0.439502 0.123412 V\n0.365602 0.056582 0.326802 V\n0.639003 0.965810 0.656193 V\n0.070834 0.211244 0.422139 O\n0.515750 0.759747 0.283271 O\n0.271202 0.760575 0.949476 O\n0.750702 0.237672 0.062155 O\n0.426970 0.239224 0.739098 O\n0.927210 0.729976 0.547592 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 4.034579983102689,
"density_atomic": 0.09389675284654547,
"volume": 106.49995550264555,
"volume_molar": 6.413577229706681,
"formula_full": "Li1 V3 O5 F1",
"formula_reduced": "LiV3O5F",
"formula_anonymous": "ABC3D5",
"energy": -81.61067754,
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"updated_at": "2021-11-28T01:35:51.377000Z",
"spacegroup": 1
},
{
"id": "mp-1516511",
"created_at": "2022-09-04T14:42:22.972485Z",
"structure_string": "Na1 Li1 Nb4 O12\n1.0\n0.000000 -3.860047 -3.921917\n0.000000 -3.860047 3.921917\n-7.877911 0.000000 0.000000\nNa Li Nb O\n1 1 4 12\ndirect\n0.980264 0.019736 -0.000000 Na\n0.517094 0.482906 0.500000 Li\n0.487260 0.998660 0.253489 Nb\n0.487260 0.998660 0.746511 Nb\n0.001340 0.512740 0.746511 Nb\n0.001340 0.512740 0.253489 Nb\n0.204576 0.202291 0.238679 O\n0.797709 0.795424 0.238679 O\n0.797709 0.795424 0.761321 O\n0.204576 0.202291 0.761321 O\n0.313086 0.686914 0.312401 O\n0.721410 0.278590 0.214844 O\n0.721410 0.278590 0.785156 O\n0.313086 0.686914 0.687599 O\n0.459244 0.955055 0.000000 O\n0.518528 0.081838 0.500000 O\n0.044945 0.540756 -0.000000 O\n0.918162 0.481472 0.500000 O\n",
"nsites": 18,
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"elements": [
"Na",
"Li",
"Nb",
"O"
],
"chemical_system": "Li-Na-Nb-O",
"density": 4.132127214833848,
"density_atomic": 0.0754641089190017,
"volume": 238.5239852142167,
"volume_molar": 7.980138964423176,
"formula_full": "Na1 Li1 Nb4 O12",
"formula_reduced": "NaLiNb4O12",
"formula_anonymous": "ABC4D12",
"energy": -150.93641589,
"energy_per_atom": -8.385356438333334,
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"updated_at": "2021-11-28T01:35:46.915000Z",
"spacegroup": 38
},
{
"id": "mp-1247711",
"created_at": "2022-09-04T14:42:23.001692Z",
"structure_string": "Ca8 Mn7 Cr1 O21\n1.0\n7.779132 0.000000 -0.006231\n0.000000 7.748997 0.000000\n-0.006055 0.000000 7.686459\nCa Mn Cr O\n8 7 1 21\ndirect\n0.235061 0.262689 0.245148 Ca\n0.269326 0.267265 0.701323 Ca\n0.235061 0.737311 0.245148 Ca\n0.269326 0.732735 0.701323 Ca\n0.738604 0.258035 0.260107 Ca\n0.754945 0.245953 0.723521 Ca\n0.738604 0.741965 0.260107 Ca\n0.754945 0.754047 0.723521 Ca\n0.007402 0.000000 0.503438 Mn\n0.991275 0.500000 0.009303 Mn\n0.001956 0.500000 0.497857 Mn\n0.494703 0.000000 0.998450 Mn\n0.510422 0.000000 0.480953 Mn\n0.499310 0.500000 0.992055 Mn\n0.505336 0.500000 0.497721 Mn\n0.014943 0.000000 0.990250 Cr\n0.959626 0.000000 0.765299 O\n0.013222 0.500000 0.254851 O\n0.003832 0.500000 0.757282 O\n0.563723 0.000000 0.232229 O\n0.526535 0.000000 0.747411 O\n0.492805 0.500000 0.746440 O\n0.236998 0.000000 0.048172 O\n0.256374 0.000000 0.483373 O\n0.252290 0.500000 0.030333 O\n0.259419 0.500000 0.486709 O\n0.762269 0.000000 0.483928 O\n0.737500 0.500000 0.041961 O\n0.748917 0.500000 0.489265 O\n0.946452 0.207202 0.062079 O\n0.011766 0.248455 0.498541 O\n0.946452 0.792798 0.062079 O\n0.011766 0.751545 0.498541 O\n0.500854 0.253635 0.017975 O\n0.498565 0.255431 0.472666 O\n0.500854 0.746365 0.017975 O\n0.498565 0.744569 0.472666 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
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"Mn",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Mn-O",
"density": 3.917740293665828,
"density_atomic": 0.0798544365203358,
"volume": 463.34307287457403,
"volume_molar": 7.5413978514097915,
"formula_full": "Ca8 Mn7 Cr1 O21",
"formula_reduced": "Ca8Mn7CrO21",
"formula_anonymous": "AB7C8D21",
"energy": -286.26877227,
"energy_per_atom": -7.736993845135135,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:38.406000Z",
"spacegroup": 6
},
{
"id": "mp-1176791",
"created_at": "2022-09-04T14:42:23.002539Z",
"structure_string": "Li18 Mn2 Si4 O20\n1.0\n5.360364 0.000000 0.000000\n-0.203179 5.916626 0.000000\n-2.156512 -1.739473 15.056146\nLi Mn Si O\n18 2 4 20\ndirect\n0.950414 0.653006 0.728267 Li\n0.227831 0.528866 0.614348 Li\n0.767718 0.612667 0.871731 Li\n0.495109 0.160109 0.266547 Li\n0.250490 0.499370 0.986913 Li\n0.824693 0.267357 0.545320 Li\n0.657254 0.166687 0.827963 Li\n0.040966 0.919318 0.266023 Li\n0.801325 0.976795 0.391926 Li\n0.241830 0.058774 0.609057 Li\n0.968612 0.068691 0.728776 Li\n0.150442 0.741935 0.469659 Li\n0.728087 0.520573 0.023178 Li\n0.477881 0.834293 0.723361 Li\n0.436909 0.696150 0.360920 Li\n0.220107 0.396922 0.134136 Li\n0.807510 0.460451 0.390775 Li\n0.003514 0.348467 0.263126 Li\n0.087115 0.928366 0.093344 Mn\n0.026635 0.017391 0.911518 Mn\n0.287883 0.372891 0.813708 Si\n0.304771 0.232800 0.432260 Si\n0.672530 0.653807 0.192049 Si\n0.711531 0.770331 0.564328 Si\n0.846384 0.560340 0.612231 O\n0.998791 0.754564 0.974923 O\n0.284931 0.585785 0.756614 O\n0.608207 0.227089 0.423344 O\n0.159818 0.129265 0.194503 O\n0.505457 0.413418 0.903343 O\n0.231833 0.276571 0.531646 O\n0.006976 0.314194 0.847640 O\n0.340404 0.132912 0.755259 O\n0.175695 0.978300 0.385004 O\n0.109603 0.188198 0.023409 O\n0.872143 0.006722 0.610875 O\n0.663528 0.883726 0.259739 O\n0.465788 0.615322 0.099852 O\n0.737876 0.733762 0.457047 O\n0.959352 0.664592 0.153924 O\n0.817210 0.876369 0.808531 O\n0.415383 0.786706 0.584283 O\n0.665200 0.439565 0.250960 O\n0.180307 0.445316 0.377470 O\n",
"nsites": 44,
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"elements": [
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"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.319992193954718,
"density_atomic": 0.092144721029109,
"volume": 477.5097206719001,
"volume_molar": 6.535524436714692,
"formula_full": "Li18 Mn2 Si4 O20",
"formula_reduced": "Li9Mn(SiO5)2",
"formula_anonymous": "AB2C9D10",
"energy": -283.13357468000004,
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