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{
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"results": [
{
"id": "mp-754681",
"created_at": "2022-09-04T14:45:04.124838Z",
"structure_string": "Mn3 Cr2 Sb3 O16\n1.0\n6.086893 0.031637 0.010580\n-3.016049 5.223837 0.000078\n0.014838 0.008730 9.046674\nMn Cr Sb O\n3 2 3 16\ndirect\n0.661600 0.830803 0.214706 Mn\n0.827139 0.662423 0.710125 Mn\n0.827128 0.164737 0.710130 Mn\n0.340179 0.670082 0.492845 Cr\n0.682153 0.341096 0.984071 Cr\n0.164147 0.830663 0.209828 Sb\n0.164140 0.333505 0.209820 Sb\n0.329189 0.164598 0.709473 Sb\n0.162900 0.832141 0.604177 O\n0.043628 0.521810 0.347107 O\n0.306259 0.653156 0.086161 O\n0.023030 0.011516 0.326789 O\n0.988887 0.994466 0.815739 O\n0.162873 0.330767 0.604188 O\n0.475129 0.952280 0.337391 O\n0.475102 0.522830 0.337400 O\n0.334594 0.167318 0.096661 O\n0.675213 0.837619 0.603305 O\n0.531138 0.483085 0.837654 O\n0.531158 0.048063 0.837661 O\n0.672136 0.336056 0.599937 O\n0.835469 0.670671 0.105168 O\n0.951328 0.475686 0.830232 O\n0.835481 0.164829 0.105153 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-Mn-O-Sb",
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"density_atomic": 0.0831835332058468,
"volume": 288.51864155143977,
"volume_molar": 7.23958279711148,
"formula_full": "Mn3 Cr2 Sb3 O16",
"formula_reduced": "Mn3Cr2Sb3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -183.92313076,
"energy_per_atom": -7.663463781666667,
"energy_above_hull": null,
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"band_gap": 0.3121999999999998,
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"updated_at": "2021-11-28T01:36:47.447000Z",
"spacegroup": 8
},
{
"id": "mp-1190916",
"created_at": "2022-09-04T14:48:22.646056Z",
"structure_string": "Ag2 Te3 Mo3 O16\n1.0\n5.775109 5.253162 0.000000\n-5.775109 5.253162 0.000000\n0.000000 4.611362 5.973648\nAg Te Mo O\n2 3 3 16\ndirect\n0.096037 0.903963 0.500000 Ag\n0.532189 0.467811 0.000000 Ag\n0.593987 0.406013 0.500000 Te\n0.977463 0.469843 0.998535 Te\n0.530157 0.022537 0.001465 Te\n0.615577 0.937577 0.466966 Mo\n0.062423 0.384423 0.533034 Mo\n0.999498 0.000502 0.000000 Mo\n0.865120 0.457620 0.437878 O\n0.542380 0.134880 0.562122 O\n0.718230 0.489998 0.162083 O\n0.510002 0.281770 0.837917 O\n0.938534 0.521931 0.753546 O\n0.478069 0.061466 0.246454 O\n0.878881 0.183344 0.159330 O\n0.816656 0.121119 0.840670 O\n0.749684 0.865800 0.609153 O\n0.134200 0.250316 0.390847 O\n0.394357 0.738803 0.650266 O\n0.261197 0.605643 0.349734 O\n0.737294 0.832648 0.259664 O\n0.167352 0.262706 0.740336 O\n0.149637 0.961557 0.127306 O\n0.038443 0.850363 0.872694 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ag",
"Te",
"Mo",
"O"
],
"chemical_system": "Ag-Mo-O-Te",
"density": 5.23355103629832,
"density_atomic": 0.06621564875281102,
"volume": 362.45208575383987,
"volume_molar": 9.094739496521727,
"formula_full": "Ag2 Te3 Mo3 O16",
"formula_reduced": "Ag2Te3Mo3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -164.36909351999998,
"energy_per_atom": -6.848712229999999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -143.77109352,
"band_gap": 2.0203,
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"total_magnetization": 0.0007571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:51.045000Z",
"spacegroup": 5
},
{
"id": "mp-773319",
"created_at": "2022-09-04T14:47:26.420677Z",
"structure_string": "Mn3 Cr2 Te3 O16\n1.0\n3.019163 5.540392 0.000000\n-3.019163 5.540392 0.000000\n0.000000 0.706806 9.125285\nMn Cr Te O\n3 2 3 16\ndirect\n0.831851 0.831851 0.789246 Mn\n0.162128 0.662456 0.294413 Mn\n0.662456 0.162128 0.294413 Mn\n0.674181 0.674181 0.499712 Cr\n0.347931 0.347931 0.026465 Cr\n0.333608 0.833039 0.787749 Te\n0.833039 0.333608 0.787749 Te\n0.165909 0.165909 0.287502 Te\n0.343662 0.845655 0.398369 O\n0.524925 0.524925 0.660096 O\n0.645630 0.645630 0.908370 O\n0.015937 0.015937 0.676534 O\n0.010431 0.010431 0.193901 O\n0.845655 0.343662 0.398369 O\n0.499720 0.952486 0.659430 O\n0.952486 0.499720 0.659430 O\n0.157360 0.157360 0.895215 O\n0.837207 0.837207 0.403633 O\n0.042998 0.464484 0.151897 O\n0.464484 0.042998 0.151897 O\n0.316127 0.316127 0.397479 O\n0.183188 0.677419 0.897412 O\n0.468513 0.468513 0.167535 O\n0.677419 0.183188 0.897412 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"Te",
"O"
],
"chemical_system": "Cr-Mn-O-Te",
"density": 4.936720451964997,
"density_atomic": 0.07861542286780823,
"volume": 305.2836087946252,
"volume_molar": 7.660253599508362,
"formula_full": "Mn3 Cr2 Te3 O16",
"formula_reduced": "Mn3Cr2Te3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -176.58615852,
"energy_per_atom": -7.357756605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.59215852,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.0014963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.545000Z",
"spacegroup": 8
},
{
"id": "mp-774607",
"created_at": "2022-09-04T14:39:43.508572Z",
"structure_string": "Mn3 Ni2 Te3 O16\n1.0\n3.024263 5.338513 0.000000\n-3.024263 5.338513 0.000000\n0.000000 0.194451 9.137930\nMn Ni Te O\n3 2 3 16\ndirect\n0.832325 0.832325 0.784862 Mn\n0.165215 0.664579 0.289671 Mn\n0.664579 0.165215 0.289671 Mn\n0.674364 0.674364 0.490894 Ni\n0.345096 0.345096 0.020869 Ni\n0.333931 0.831812 0.787264 Te\n0.831812 0.333931 0.787264 Te\n0.166462 0.166462 0.287691 Te\n0.322897 0.844460 0.397303 O\n0.518821 0.518821 0.661930 O\n0.645416 0.645416 0.913212 O\n0.017928 0.017928 0.668655 O\n0.007862 0.007862 0.179087 O\n0.844460 0.322897 0.397303 O\n0.509585 0.958920 0.672379 O\n0.958920 0.509585 0.672379 O\n0.158902 0.158902 0.900107 O\n0.843107 0.843107 0.392473 O\n0.040437 0.479471 0.164748 O\n0.479471 0.040437 0.164748 O\n0.322615 0.322615 0.403876 O\n0.168165 0.681700 0.890141 O\n0.476189 0.476189 0.178446 O\n0.681700 0.168165 0.890141 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Ni",
"Te",
"O"
],
"chemical_system": "Mn-Ni-O-Te",
"density": 5.183068616937248,
"density_atomic": 0.08133801291163174,
"volume": 295.0649904132079,
"volume_molar": 7.403845440068285,
"formula_full": "Mn3 Ni2 Te3 O16",
"formula_reduced": "Mn3Ni2Te3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -162.85956178,
"energy_per_atom": -6.785815074166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -141.78156178,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.621000Z",
"spacegroup": 8
},
{
"id": "mp-777531",
"created_at": "2022-09-04T14:41:01.683162Z",
"structure_string": "Ti3 Nb2 Cr3 O16\n1.0\n5.947448 0.000000 0.000000\n-2.964436 5.188558 0.000000\n-0.104190 -0.088103 9.387879\nTi Nb Cr O\n3 2 3 16\ndirect\n0.654325 0.820196 0.717172 Ti\n0.824433 0.166427 0.219448 Ti\n0.824729 0.656898 0.220978 Ti\n0.658561 0.326932 0.499150 Nb\n0.319638 0.656682 0.998050 Nb\n0.338441 0.168694 0.207596 Cr\n0.167803 0.338252 0.709145 Cr\n0.175375 0.835874 0.717868 Cr\n0.825193 0.167522 0.599522 O\n0.960753 0.479201 0.335518 O\n0.679476 0.339599 0.105641 O\n0.997842 0.998602 0.305649 O\n0.006401 0.996508 0.802289 O\n0.828748 0.657691 0.600052 O\n0.529666 0.045837 0.336198 O\n0.529144 0.484084 0.336024 O\n0.656934 0.829191 0.098731 O\n0.337944 0.167600 0.599008 O\n0.487554 0.531708 0.834839 O\n0.478783 0.958616 0.833296 O\n0.331824 0.675955 0.607114 O\n0.167102 0.337896 0.098164 O\n0.050256 0.531433 0.835175 O\n0.169073 0.828406 0.099093 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Cr",
"O"
],
"chemical_system": "Cr-Nb-O-Ti",
"density": 4.2496430178838605,
"density_atomic": 0.08284502416102317,
"volume": 289.69754361290285,
"volume_molar": 7.269164106096417,
"formula_full": "Ti3 Nb2 Cr3 O16",
"formula_reduced": "Ti3Nb2Cr3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -220.42759379,
"energy_per_atom": -9.184483074583333,
"energy_above_hull": null,
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"energy_uncorrected": -203.43859379000003,
"band_gap": 0.8117999999999999,
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"is_magnetic": true,
"total_magnetization": 8.0000354,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.782000Z",
"spacegroup": 1
},
{
"id": "mp-772482",
"created_at": "2022-09-04T14:40:59.760580Z",
"structure_string": "Mn3 Sn3 Te2 O16\n1.0\n3.124279 5.510316 0.000000\n-3.124279 5.510316 0.000000\n0.000000 0.249568 9.318907\nMn Sn Te O\n3 3 2 16\ndirect\n0.831228 0.831228 0.796203 Mn\n0.168268 0.662106 0.296858 Mn\n0.662106 0.168268 0.296858 Mn\n0.337806 0.832993 0.793736 Sn\n0.832993 0.337806 0.793736 Sn\n0.167820 0.167820 0.292262 Sn\n0.670937 0.670937 0.510752 Te\n0.337760 0.337760 0.017886 Te\n0.364047 0.821774 0.400519 O\n0.524609 0.524609 0.646999 O\n0.660093 0.660093 0.903039 O\n0.003602 0.003602 0.701440 O\n0.996149 0.996149 0.211857 O\n0.821774 0.364047 0.400519 O\n0.517138 0.949375 0.643921 O\n0.949375 0.517138 0.643921 O\n0.181628 0.181628 0.899760 O\n0.822452 0.822452 0.398748 O\n0.045670 0.471149 0.144316 O\n0.471149 0.045670 0.144316 O\n0.336241 0.336241 0.390609 O\n0.184672 0.638857 0.901571 O\n0.472058 0.472058 0.153040 O\n0.638857 0.184672 0.901571 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 5.341510902108515,
"density_atomic": 0.07479799451071771,
"volume": 320.86421777740406,
"volume_molar": 8.05120618459509,
"formula_full": "Mn3 Sn3 Te2 O16",
"formula_reduced": "Mn3Sn3(TeO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -167.85649138000002,
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"updated_at": "2021-11-28T01:35:12.188000Z",
"spacegroup": 8
},
{
"id": "mp-770963",
"created_at": "2022-09-04T14:39:48.276951Z",
"structure_string": "V2 Ni3 Te3 O16\n1.0\n3.031181 5.271040 0.000000\n-3.031181 5.271040 0.000000\n0.000000 0.197954 9.215280\nV Ni Te O\n2 3 3 16\ndirect\n0.681349 0.681349 0.495019 V\n0.360144 0.360144 0.038849 V\n0.827243 0.827243 0.792589 Ni\n0.169274 0.668261 0.295332 Ni\n0.668261 0.169274 0.295332 Ni\n0.329023 0.826855 0.785205 Te\n0.826855 0.329023 0.785205 Te\n0.169424 0.169424 0.288398 Te\n0.346653 0.839667 0.400055 O\n0.513249 0.513249 0.660545 O\n0.650695 0.650695 0.904026 O\n0.000884 0.000884 0.675456 O\n0.010122 0.010122 0.193082 O\n0.839667 0.346653 0.400055 O\n0.504761 0.947154 0.664773 O\n0.947154 0.504761 0.664773 O\n0.157966 0.157966 0.890747 O\n0.824546 0.824546 0.407907 O\n0.050743 0.467560 0.151466 O\n0.467560 0.050743 0.151466 O\n0.323318 0.323318 0.398046 O\n0.174771 0.671983 0.896839 O\n0.484208 0.484208 0.152329 O\n0.671983 0.174771 0.896839 O\n",
"nsites": 24,
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"elements": [
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"Ni",
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"O"
],
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"density": 5.1695769993765905,
"density_atomic": 0.08150129859276331,
"volume": 294.4738355632902,
"volume_molar": 7.389012032913448,
"formula_full": "V2 Ni3 Te3 O16",
"formula_reduced": "V2Ni3Te3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -161.88333039000003,
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"energy_above_hull": null,
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"energy_uncorrected": -139.86833039,
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"updated_at": "2021-11-28T01:34:25.468000Z",
"spacegroup": 8
},
{
"id": "mp-770859",
"created_at": "2022-09-04T14:40:04.963928Z",
"structure_string": "Mn3 Co3 Cu2 O16\n1.0\n5.671252 -0.005904 -0.109297\n-2.840787 4.922190 -0.004166\n-0.173375 -0.107626 8.876861\nMn Co Cu O\n3 3 2 16\ndirect\n0.660434 0.830488 0.213949 Mn\n0.834347 0.663737 0.712224 Mn\n0.834693 0.170591 0.712210 Mn\n0.164558 0.832065 0.207339 Co\n0.164551 0.332387 0.207296 Co\n0.332755 0.166142 0.706348 Co\n0.333005 0.666603 0.486745 Cu\n0.668924 0.334531 0.989209 Cu\n0.165228 0.840543 0.605400 O\n0.048919 0.524672 0.333130 O\n0.323316 0.661515 0.101421 O\n0.009369 0.004947 0.316958 O\n0.010585 0.005355 0.818115 O\n0.165238 0.323776 0.605563 O\n0.478782 0.965434 0.335005 O\n0.478608 0.514440 0.335348 O\n0.311094 0.155548 0.107879 O\n0.667399 0.833522 0.599885 O\n0.521764 0.474731 0.838519 O\n0.521991 0.047256 0.838592 O\n0.659501 0.329426 0.600197 O\n0.834222 0.668773 0.104095 O\n0.976393 0.488416 0.836237 O\n0.834325 0.165304 0.104055 O\n",
"nsites": 24,
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"elements": [
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"Cu",
"O"
],
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"density": 4.861787865809381,
"density_atomic": 0.09696214479508593,
"volume": 247.51927724701412,
"volume_molar": 6.210816368312435,
"formula_full": "Mn3 Co3 Cu2 O16",
"formula_reduced": "Mn3Co3(CuO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -164.41915231,
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"updated_at": "2021-11-28T01:34:45.644000Z",
"spacegroup": 8
},
{
"id": "mp-776644",
"created_at": "2022-09-04T14:40:14.652213Z",
"structure_string": "Ti3 Mn3 Sn2 O16\n1.0\n2.951514 5.107656 0.000000\n-2.951514 5.107656 0.000000\n0.000000 0.138738 9.519366\nTi Mn Sn O\n3 3 2 16\ndirect\n0.839771 0.839771 0.287325 Ti\n0.670469 0.171883 0.787493 Ti\n0.171883 0.670469 0.787493 Ti\n0.172185 0.172185 0.786672 Mn\n0.833127 0.340440 0.287616 Mn\n0.340440 0.833127 0.287616 Mn\n0.330235 0.330235 0.507415 Sn\n0.665936 0.665936 0.010664 Sn\n0.673487 0.161025 0.393868 O\n0.478735 0.478735 0.665906 O\n0.329852 0.329852 0.893787 O\n0.004107 0.004107 0.688714 O\n0.004979 0.004979 0.188445 O\n0.161025 0.673487 0.393868 O\n0.474050 0.039006 0.668969 O\n0.039006 0.474050 0.668969 O\n0.834233 0.834233 0.892592 O\n0.158751 0.158751 0.393639 O\n0.960301 0.515230 0.169067 O\n0.515230 0.960301 0.169067 O\n0.662068 0.662068 0.391575 O\n0.835227 0.326248 0.894607 O\n0.518828 0.518828 0.174313 O\n0.326248 0.835227 0.894607 O\n",
"nsites": 24,
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"elements": [
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"O"
],
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"density": 4.639001064588548,
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"volume": 287.01494285667695,
"volume_molar": 7.2018516087761055,
"formula_full": "Ti3 Mn3 Sn2 O16",
"formula_reduced": "Ti3Mn3(SnO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -196.40536218,
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{
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{
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"structure_string": "V3 Cr3 W2 O16\n1.0\n5.980107 0.000000 0.000000\n-2.970872 5.221520 0.000000\n-0.168814 -0.102338 9.253319\nV Cr W O\n3 3 2 16\ndirect\n0.339901 0.170536 0.776250 V\n0.171307 0.827259 0.282009 V\n0.164994 0.335220 0.285175 V\n0.829128 0.661385 0.791873 Cr\n0.827973 0.167715 0.791635 Cr\n0.660774 0.828560 0.293124 Cr\n0.674924 0.337143 0.508352 W\n0.340939 0.668462 0.006629 W\n0.829607 0.650182 0.406096 O\n0.948163 0.473456 0.662746 O\n0.645036 0.323213 0.890800 O\n0.010066 0.004646 0.699244 O\n0.001708 0.986775 0.200522 O\n0.825744 0.173320 0.405311 O\n0.519394 0.473921 0.654735 O\n0.520738 0.047466 0.654767 O\n0.654728 0.829687 0.905033 O\n0.356076 0.177438 0.402455 O\n0.471912 0.951585 0.160227 O\n0.478616 0.529494 0.156854 O\n0.323925 0.672521 0.391658 O\n0.179251 0.827011 0.903178 O\n0.047285 0.529311 0.152644 O\n0.177810 0.353892 0.902965 O\n",
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}