HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10201",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10199",
"results": [
{
"id": "mp-559207",
"created_at": "2022-09-04T14:40:17.387038Z",
"structure_string": "Rb8 Mn4 P16 O48\n1.0\n13.226183 0.000000 0.000000\n0.000000 7.965552 0.000000\n0.000000 5.568690 11.225037\nRb Mn P O\n8 4 16 48\ndirect\n0.865202 0.434396 0.658605 Rb\n0.882790 0.058620 0.363789 Rb\n0.117210 0.941380 0.636211 Rb\n0.617210 0.058620 0.863789 Rb\n0.365202 0.565604 0.841395 Rb\n0.382790 0.941380 0.136211 Rb\n0.134798 0.565604 0.341395 Rb\n0.634798 0.434396 0.158605 Rb\n0.350640 0.756586 0.484015 Mn\n0.149360 0.756586 0.984015 Mn\n0.850640 0.243414 0.015985 Mn\n0.649360 0.243414 0.515985 Mn\n0.168396 0.425844 0.662259 P\n0.590655 0.919879 0.412355 P\n0.431096 0.446021 0.373054 P\n0.685330 0.885215 0.202276 P\n0.931096 0.553979 0.126946 P\n0.090655 0.080121 0.087645 P\n0.314670 0.114785 0.797724 P\n0.568904 0.553979 0.626946 P\n0.068904 0.446021 0.873054 P\n0.814670 0.885215 0.702276 P\n0.409345 0.080121 0.587645 P\n0.668396 0.574156 0.837741 P\n0.831604 0.574156 0.337741 P\n0.909345 0.919879 0.912355 P\n0.185330 0.114785 0.297724 P\n0.331604 0.425844 0.162259 P\n0.283148 0.615199 0.092103 O\n0.520236 0.070448 0.615075 O\n0.753298 0.699324 0.232889 O\n0.077656 0.451292 0.742368 O\n0.849674 0.833408 0.836615 O\n0.422344 0.451292 0.242368 O\n0.020236 0.929552 0.884925 O\n0.783148 0.384801 0.407897 O\n0.577656 0.548708 0.757632 O\n0.645170 0.093543 0.400419 O\n0.354830 0.906457 0.599581 O\n0.922344 0.548708 0.257632 O\n0.639060 0.407292 0.623583 O\n0.384657 0.241441 0.455966 O\n0.042293 0.549115 0.105580 O\n0.457707 0.549115 0.605580 O\n0.479764 0.929552 0.384925 O\n0.248939 0.942234 0.840782 O\n0.150326 0.166592 0.163385 O\n0.746702 0.699324 0.732889 O\n0.099757 0.121472 0.373387 O\n0.751061 0.057766 0.159218 O\n0.376293 0.325809 0.097263 O\n0.139060 0.592708 0.876417 O\n0.400243 0.121472 0.873387 O\n0.253298 0.300676 0.267111 O\n0.216852 0.615199 0.592103 O\n0.599757 0.878528 0.126613 O\n0.900243 0.878528 0.626613 O\n0.360940 0.592708 0.376417 O\n0.854830 0.093543 0.900419 O\n0.623707 0.674191 0.902737 O\n0.860940 0.407292 0.123583 O\n0.748939 0.057766 0.659218 O\n0.251061 0.942234 0.340782 O\n0.542293 0.450885 0.394420 O\n0.979764 0.070448 0.115075 O\n0.246702 0.300676 0.767111 O\n0.145170 0.906457 0.099581 O\n0.650326 0.833408 0.336615 O\n0.349674 0.166592 0.663385 O\n0.876293 0.674191 0.402737 O\n0.716852 0.384801 0.907897 O\n0.957707 0.450885 0.894420 O\n0.123707 0.325809 0.597263 O\n0.884657 0.758559 0.044034 O\n0.615343 0.758559 0.544034 O\n0.115343 0.241441 0.955966 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Rb",
"density": 3.042839437323201,
"density_atomic": 0.06426513239682555,
"volume": 1182.600846921372,
"volume_molar": 9.370774688231204,
"formula_full": "Rb8 Mn4 P16 O48",
"formula_reduced": "Rb2Mn(PO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -570.18676829,
"energy_per_atom": -7.5024574775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -530.53876829,
"band_gap": 4.559900000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9988949,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.385000Z",
"spacegroup": 14
},
{
"id": "mp-556338",
"created_at": "2022-09-04T14:41:11.124581Z",
"structure_string": "Rb4 Mn4 P4 O16\n1.0\n5.524249 0.000047 0.000119\n0.000074 9.097964 -0.042967\n0.000199 -0.012963 9.359833\nRb Mn P O\n4 4 4 16\ndirect\n0.879247 0.993547 0.800360 Rb\n0.379239 0.006450 0.199683 Rb\n0.410428 0.511414 0.310402 Rb\n0.910391 0.488532 0.689609 Rb\n0.411292 0.673485 0.907293 Mn\n0.357863 0.159583 0.568054 Mn\n0.911056 0.326514 0.092586 Mn\n0.857973 0.840420 0.431918 Mn\n0.401277 0.792919 0.573080 P\n0.901262 0.207082 0.426888 P\n0.409117 0.297975 0.900443 P\n0.909127 0.702038 0.099581 P\n0.182537 0.734888 0.071733 O\n0.682533 0.265096 0.928271 O\n0.811017 0.811214 0.214018 O\n0.311058 0.188815 0.785994 O\n0.679587 0.263534 0.512216 O\n0.179603 0.736456 0.487765 O\n0.622952 0.690944 0.545180 O\n0.122922 0.309044 0.454856 O\n0.377532 0.458045 0.846149 O\n0.877538 0.541993 0.153954 O\n0.836932 0.194614 0.265862 O\n0.336842 0.805423 0.734095 O\n0.766112 0.724185 0.957490 O\n0.266175 0.275781 0.042544 O\n0.989895 0.053109 0.483089 O\n0.489895 0.946899 0.516889 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Rb",
"density": 3.323462440405143,
"density_atomic": 0.05952169805263512,
"volume": 470.41668695741106,
"volume_molar": 10.117555373965665,
"formula_full": "Rb4 Mn4 P4 O16",
"formula_reduced": "RbMnPO4",
"formula_anonymous": "ABCD4",
"energy": -213.97944133,
"energy_per_atom": -7.642122904642856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -196.31544133,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.217000Z",
"spacegroup": 4
},
{
"id": "mp-1203377",
"created_at": "2022-09-04T14:40:03.734316Z",
"structure_string": "Rb4 Mn4 P8 O28\n1.0\n9.876735 0.000000 0.000000\n0.000000 7.489739 0.000000\n0.000000 2.337737 8.494181\nRb Mn P O\n4 4 8 28\ndirect\n0.311943 0.818659 0.043807 Rb\n0.811943 0.181341 0.456193 Rb\n0.688057 0.181341 0.956193 Rb\n0.188057 0.818659 0.543807 Rb\n0.601373 0.763848 0.756477 Mn\n0.101373 0.236152 0.743523 Mn\n0.398627 0.236152 0.243523 Mn\n0.898627 0.763848 0.256477 Mn\n0.631248 0.565538 0.189516 P\n0.131248 0.434462 0.310484 P\n0.368752 0.434462 0.810484 P\n0.868752 0.565538 0.689516 P\n0.905381 0.867570 0.831665 P\n0.405381 0.132430 0.668335 P\n0.094619 0.132430 0.168335 P\n0.594619 0.867570 0.331665 P\n0.949737 0.669094 0.805072 O\n0.449737 0.330906 0.694928 O\n0.050263 0.330906 0.194928 O\n0.550263 0.669094 0.305072 O\n0.736752 0.914128 0.255259 O\n0.236752 0.085872 0.244741 O\n0.263248 0.085872 0.744741 O\n0.763248 0.914128 0.755259 O\n0.576314 0.365900 0.236489 O\n0.076314 0.634100 0.263511 O\n0.423686 0.634100 0.763511 O\n0.923686 0.365900 0.736489 O\n0.590463 0.854850 0.503552 O\n0.090463 0.145150 0.996448 O\n0.409537 0.145150 0.496448 O\n0.909537 0.854850 0.003552 O\n0.604398 0.673183 0.021790 O\n0.104398 0.326817 0.478210 O\n0.395602 0.326817 0.978210 O\n0.895602 0.673183 0.521790 O\n0.496871 0.009303 0.226774 O\n0.996871 0.990697 0.273226 O\n0.503129 0.990697 0.773226 O\n0.003129 0.009303 0.726774 O\n0.781637 0.554774 0.244026 O\n0.281637 0.445226 0.255974 O\n0.218363 0.445226 0.755974 O\n0.718363 0.554774 0.744026 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Rb",
"density": 3.322919414074234,
"density_atomic": 0.07002467150745956,
"volume": 628.3499665587548,
"volume_molar": 8.600027148086623,
"formula_full": "Rb4 Mn4 P8 O28",
"formula_reduced": "RbMnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -336.03154723,
"energy_per_atom": -7.637080618863636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -310.12354723,
"band_gap": 1.1481,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.0057146,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.544000Z",
"spacegroup": 14
},
{
"id": "mp-559643",
"created_at": "2022-09-04T14:46:53.170545Z",
"structure_string": "Rb4 Mn2 P4 S12\n1.0\n12.585760 0.000000 0.000000\n0.000000 6.183051 0.000000\n0.000000 5.121379 7.684523\nRb Mn P S\n4 2 4 12\ndirect\n0.326232 0.203636 0.525414 Rb\n0.673768 0.796364 0.474586 Rb\n0.826232 0.796364 0.974586 Rb\n0.173768 0.203636 0.025414 Rb\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.460247 0.845307 0.123768 P\n0.039753 0.845307 0.623768 P\n0.960247 0.154693 0.376232 P\n0.539753 0.154693 0.876232 P\n0.075122 0.033923 0.740285 S\n0.664562 0.278202 0.952527 S\n0.068062 0.448776 0.253202 S\n0.924878 0.966077 0.259715 S\n0.424878 0.033923 0.240285 S\n0.335438 0.721798 0.047473 S\n0.431938 0.448776 0.753202 S\n0.568062 0.551224 0.246798 S\n0.575122 0.966077 0.759715 S\n0.164562 0.721798 0.547473 S\n0.931938 0.551224 0.746798 S\n0.835438 0.278202 0.452527 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"P",
"S"
],
"chemical_system": "Mn-P-Rb-S",
"density": 2.66693334002896,
"density_atomic": 0.03678946662403788,
"volume": 597.9972535297757,
"volume_molar": 16.36919834022598,
"formula_full": "Rb4 Mn2 P4 S12",
"formula_reduced": "Rb2Mn(PS3)2",
"formula_anonymous": "AB2C2D6",
"energy": -115.39986918,
"energy_per_atom": -5.245448599090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.36386918,
"band_gap": 0.2352000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9989471,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.529000Z",
"spacegroup": 14
},
{
"id": "mp-12436",
"created_at": "2022-09-04T14:48:22.569467Z",
"structure_string": "Rb8 Mn8 S12 O48\n1.0\n10.357462 0.000000 0.000000\n0.000000 10.357462 0.000000\n0.000000 0.000000 10.357462\nRb Mn S O\n8 8 12 48\ndirect\n0.799275 0.700725 0.299275 Rb\n0.700725 0.299275 0.799275 Rb\n0.299275 0.799275 0.700725 Rb\n0.200725 0.200725 0.200725 Rb\n0.433933 0.433933 0.433933 Rb\n0.933933 0.066067 0.566067 Rb\n0.066067 0.566067 0.933933 Rb\n0.566067 0.933933 0.066067 Rb\n0.914826 0.914826 0.914826 Mn\n0.585174 0.085174 0.414826 Mn\n0.085174 0.414826 0.585174 Mn\n0.414826 0.585174 0.085174 Mn\n0.654270 0.654270 0.654270 Mn\n0.154270 0.845730 0.345730 Mn\n0.845730 0.345730 0.154270 Mn\n0.345730 0.154270 0.845730 Mn\n0.626038 0.968018 0.731506 S\n0.126038 0.531982 0.268494 S\n0.373962 0.468018 0.768494 S\n0.531982 0.268494 0.126038 S\n0.768494 0.373962 0.468018 S\n0.268494 0.126038 0.531982 S\n0.968018 0.731506 0.626038 S\n0.731506 0.626038 0.968018 S\n0.468018 0.768494 0.373962 S\n0.031982 0.231506 0.873962 S\n0.231506 0.873962 0.031982 S\n0.873962 0.031982 0.231506 S\n0.651418 0.002639 0.594773 O\n0.151418 0.497361 0.405227 O\n0.348582 0.502639 0.905227 O\n0.497361 0.405227 0.151418 O\n0.905227 0.348582 0.502639 O\n0.405227 0.151418 0.497361 O\n0.002639 0.594773 0.651418 O\n0.594773 0.651418 0.002639 O\n0.502639 0.905227 0.348582 O\n0.997361 0.094773 0.848582 O\n0.094773 0.848582 0.997361 O\n0.848582 0.997361 0.094773 O\n0.582206 0.830849 0.741802 O\n0.082206 0.669151 0.258198 O\n0.417794 0.330849 0.758198 O\n0.669151 0.258198 0.082206 O\n0.758198 0.417794 0.330849 O\n0.258198 0.082206 0.669151 O\n0.711291 0.474929 0.552934 O\n0.830849 0.741802 0.582206 O\n0.330849 0.758198 0.417794 O\n0.169151 0.241802 0.917794 O\n0.241802 0.917794 0.169151 O\n0.917794 0.169151 0.241802 O\n0.525071 0.052934 0.788709 O\n0.025071 0.447066 0.211291 O\n0.474929 0.552934 0.711291 O\n0.447066 0.211291 0.025071 O\n0.752467 0.012137 0.306736 O\n0.306736 0.752467 0.012137 O\n0.012137 0.306736 0.752467 O\n0.487863 0.693264 0.252467 O\n0.806736 0.747533 0.987863 O\n0.987863 0.806736 0.747533 O\n0.193264 0.247533 0.512137 O\n0.693264 0.252467 0.487863 O\n0.512137 0.193264 0.247533 O\n0.252467 0.487863 0.693264 O\n0.247533 0.512137 0.193264 O\n0.747533 0.987863 0.806736 O\n0.974929 0.947066 0.288709 O\n0.288709 0.974929 0.947066 O\n0.947066 0.288709 0.974929 O\n0.552934 0.711291 0.474929 O\n0.788709 0.525071 0.052934 O\n0.052934 0.788709 0.525071 O\n0.211291 0.025071 0.447066 O\n0.741802 0.582206 0.830849 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"S",
"O"
],
"chemical_system": "Mn-O-Rb-S",
"density": 3.4014251621438643,
"density_atomic": 0.06839959755397747,
"volume": 1111.1176486093311,
"volume_molar": 8.804351159007382,
"formula_full": "Rb8 Mn8 S12 O48",
"formula_reduced": "Rb2Mn2(SO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -531.50774077,
"energy_per_atom": -6.9935229048684215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -485.18774077,
"band_gap": 4.4946,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 40.00022,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:49.028000Z",
"spacegroup": 198
},
{
"id": "mp-1195883",
"created_at": "2022-09-04T14:47:40.425057Z",
"structure_string": "Rb16 Mn8 Si40 O96\n1.0\n-13.627353 0.000000 0.000000\n0.000000 0.000000 -13.861931\n0.000000 -13.980793 0.000000\nRb Mn Si O\n16 8 40 96\ndirect\n0.372054 0.651629 0.861539 Rb\n0.872054 0.348371 0.638461 Rb\n0.627946 0.848371 0.361539 Rb\n0.127946 0.151629 0.138461 Rb\n0.627946 0.348371 0.138461 Rb\n0.127946 0.651629 0.361539 Rb\n0.372054 0.151629 0.638461 Rb\n0.872054 0.848371 0.861539 Rb\n0.118059 0.893871 0.602897 Rb\n0.618059 0.106129 0.897103 Rb\n0.881941 0.606129 0.102897 Rb\n0.381941 0.393871 0.397103 Rb\n0.881941 0.106129 0.397103 Rb\n0.381941 0.893871 0.102897 Rb\n0.118059 0.393871 0.897103 Rb\n0.618059 0.606129 0.602897 Rb\n0.126467 0.440675 0.167979 Mn\n0.626467 0.559325 0.332021 Mn\n0.873533 0.059325 0.667979 Mn\n0.373533 0.940675 0.832021 Mn\n0.873533 0.559325 0.832021 Mn\n0.373533 0.440675 0.667979 Mn\n0.126467 0.940675 0.332021 Mn\n0.626467 0.059325 0.167979 Mn\n0.373473 0.103173 0.333073 Si\n0.873473 0.896827 0.166927 Si\n0.626527 0.396827 0.833073 Si\n0.126527 0.603173 0.666927 Si\n0.626527 0.896827 0.666927 Si\n0.126527 0.103173 0.833073 Si\n0.373473 0.603173 0.166927 Si\n0.873473 0.396827 0.333073 Si\n0.909568 0.132095 0.885806 Si\n0.409568 0.867905 0.614194 Si\n0.090432 0.367905 0.385806 Si\n0.590432 0.632095 0.114194 Si\n0.090432 0.867905 0.114194 Si\n0.590432 0.132095 0.385806 Si\n0.909568 0.632095 0.614194 Si\n0.409568 0.367905 0.885806 Si\n0.850500 0.605685 0.404268 Si\n0.350500 0.394315 0.095732 Si\n0.149500 0.894315 0.904268 Si\n0.649500 0.105685 0.595732 Si\n0.149500 0.394315 0.595732 Si\n0.649500 0.605685 0.904268 Si\n0.850500 0.105685 0.095732 Si\n0.350500 0.894315 0.404268 Si\n0.595264 0.316652 0.635067 Si\n0.095264 0.683348 0.864933 Si\n0.404736 0.183348 0.135067 Si\n0.904736 0.816652 0.364933 Si\n0.404736 0.683348 0.364933 Si\n0.904736 0.316652 0.135067 Si\n0.595264 0.816652 0.864933 Si\n0.095264 0.183348 0.635067 Si\n0.671547 0.843034 0.075826 Si\n0.171547 0.156966 0.424174 Si\n0.328453 0.656966 0.575826 Si\n0.828453 0.343034 0.924174 Si\n0.328453 0.156966 0.924174 Si\n0.828453 0.843034 0.575826 Si\n0.671547 0.343034 0.424174 Si\n0.171547 0.656966 0.075826 Si\n0.025569 0.660265 0.639013 O\n0.525569 0.339735 0.860987 O\n0.974431 0.839735 0.139013 O\n0.474431 0.160265 0.360987 O\n0.974431 0.339735 0.360987 O\n0.474431 0.660265 0.139013 O\n0.025569 0.160265 0.860987 O\n0.525569 0.839735 0.639013 O\n0.413789 0.907580 0.503450 O\n0.913789 0.092420 0.996550 O\n0.586211 0.592420 0.003450 O\n0.086211 0.407580 0.496550 O\n0.586211 0.092420 0.496550 O\n0.086211 0.907580 0.003450 O\n0.413789 0.407580 0.996550 O\n0.913789 0.592420 0.503450 O\n0.115110 0.986221 0.835499 O\n0.615110 0.013779 0.664501 O\n0.884890 0.513779 0.335499 O\n0.384890 0.486221 0.164501 O\n0.884890 0.013779 0.164501 O\n0.384890 0.986221 0.335499 O\n0.115110 0.486221 0.664501 O\n0.615110 0.513779 0.835499 O\n0.765287 0.113276 0.579907 O\n0.265287 0.886724 0.920093 O\n0.234713 0.386724 0.079907 O\n0.734713 0.613276 0.420093 O\n0.234713 0.886724 0.420093 O\n0.734713 0.113276 0.079907 O\n0.765287 0.613276 0.920093 O\n0.265287 0.386724 0.579907 O\n0.841650 0.866871 0.275903 O\n0.341650 0.133129 0.224097 O\n0.158350 0.633129 0.775903 O\n0.658350 0.366871 0.724097 O\n0.158350 0.133129 0.724097 O\n0.658350 0.866871 0.775903 O\n0.841650 0.366871 0.224097 O\n0.341650 0.633129 0.275903 O\n0.152824 0.266668 0.384208 O\n0.652824 0.733332 0.115792 O\n0.847176 0.233332 0.884208 O\n0.347176 0.766668 0.615792 O\n0.847176 0.733332 0.615792 O\n0.347176 0.266668 0.884208 O\n0.152824 0.766668 0.115792 O\n0.652824 0.233332 0.384208 O\n0.515487 0.148488 0.125972 O\n0.015487 0.851512 0.374028 O\n0.484513 0.351512 0.625973 O\n0.984513 0.648488 0.874027 O\n0.484513 0.851512 0.874027 O\n0.984513 0.148488 0.625973 O\n0.515487 0.648488 0.374028 O\n0.015487 0.351512 0.125972 O\n0.837190 0.345721 0.041743 O\n0.337190 0.654279 0.458257 O\n0.162810 0.154279 0.541743 O\n0.662810 0.845721 0.958257 O\n0.162810 0.654279 0.958257 O\n0.662810 0.345721 0.541743 O\n0.837190 0.845721 0.458257 O\n0.337190 0.154279 0.041743 O\n0.602245 0.418096 0.370229 O\n0.102245 0.581904 0.129771 O\n0.397755 0.081904 0.870229 O\n0.897755 0.918096 0.629771 O\n0.397755 0.581904 0.629771 O\n0.897755 0.418096 0.870229 O\n0.602245 0.918096 0.129771 O\n0.102245 0.081904 0.370229 O\n0.291215 0.639226 0.090291 O\n0.791215 0.360774 0.409709 O\n0.708785 0.860774 0.590291 O\n0.208785 0.139226 0.909709 O\n0.708785 0.360774 0.909709 O\n0.208785 0.639226 0.590291 O\n0.291215 0.139226 0.409709 O\n0.791215 0.860774 0.090291 O\n0.362203 0.444561 0.814272 O\n0.862203 0.555439 0.685728 O\n0.637797 0.055439 0.314272 O\n0.137797 0.944561 0.185728 O\n0.637797 0.555439 0.185728 O\n0.137797 0.444561 0.314272 O\n0.362203 0.944561 0.685728 O\n0.862203 0.055439 0.814272 O\n0.601655 0.698960 0.846809 O\n0.101655 0.301040 0.653191 O\n0.398345 0.801040 0.346809 O\n0.898345 0.198960 0.153191 O\n0.398345 0.301040 0.153191 O\n0.898345 0.698960 0.346809 O\n0.601655 0.198960 0.653191 O\n0.101655 0.801040 0.846809 O\n",
"nsites": 160,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Si",
"O"
],
"chemical_system": "Mn-O-Rb-Si",
"density": 2.808244764642186,
"density_atomic": 0.06058330174815928,
"volume": 2640.991748272639,
"volume_molar": 9.9402650338102,
"formula_full": "Rb16 Mn8 Si40 O96",
"formula_reduced": "Rb2MnSi5O12",
"formula_anonymous": "AB2C5D12",
"energy": -1263.29743287,
"energy_per_atom": -7.8956089554375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1184.00143287,
"band_gap": 3.1643,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 39.9999983,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.105000Z",
"spacegroup": 61
},
{
"id": "mp-1209516",
"created_at": "2022-09-04T14:44:22.647237Z",
"structure_string": "Rb4 Mn2 Te4 S12\n1.0\n3.499220 -6.060826 0.000000\n3.499220 6.060826 0.000000\n0.000000 0.000000 15.559146\nRb Mn Te S\n4 2 4 12\ndirect\n0.333333 0.666667 0.796884 Rb\n0.666667 0.333333 0.203116 Rb\n0.666667 0.333333 0.703116 Rb\n0.333333 0.666667 0.296884 Rb\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.538847 Te\n0.666667 0.333333 0.461153 Te\n0.666667 0.333333 0.961153 Te\n0.333333 0.666667 0.038847 Te\n0.109404 0.321833 0.608814 S\n0.890596 0.678167 0.391186 S\n0.678167 0.787571 0.608814 S\n0.321833 0.109404 0.891186 S\n0.321833 0.212429 0.391186 S\n0.678167 0.890596 0.108814 S\n0.212429 0.890596 0.608814 S\n0.787571 0.678167 0.891186 S\n0.787571 0.109404 0.391186 S\n0.212429 0.321833 0.108814 S\n0.890596 0.212429 0.891186 S\n0.109404 0.787571 0.108814 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Te",
"S"
],
"chemical_system": "Mn-Rb-S-Te",
"density": 3.389022358183875,
"density_atomic": 0.03333526140895957,
"volume": 659.9618263106532,
"volume_molar": 18.0653773375883,
"formula_full": "Rb4 Mn2 Te4 S12",
"formula_reduced": "Rb2Mn(TeS3)2",
"formula_anonymous": "AB2C2D6",
"energy": -101.10179699,
"energy_per_atom": -4.595536226818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.06579699,
"band_gap": 0.7723999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0031503,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.184000Z",
"spacegroup": 165
},
{
"id": "mp-1113634",
"created_at": "2022-09-04T14:40:35.894797Z",
"structure_string": "Rb2 Mn1 Tl1 F6\n1.0\n6.485625 0.000000 0.000000\n3.242813 5.616716 0.000000\n3.242813 1.872239 5.295491\nRb Mn Tl F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Tl\n0.214575 0.785425 0.214575 F\n0.785425 0.785425 0.214575 F\n0.785425 0.214575 0.785425 F\n0.785425 0.214575 0.214575 F\n0.214575 0.785425 0.785425 F\n0.214575 0.214575 0.785425 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Tl",
"F"
],
"chemical_system": "F-Mn-Rb-Tl",
"density": 4.6849493338244494,
"density_atomic": 0.051839340357634045,
"volume": 192.9036891868429,
"volume_molar": 11.61693169406458,
"formula_full": "Rb2 Mn1 Tl1 F6",
"formula_reduced": "Rb2MnTlF6",
"formula_anonymous": "ABC2D6",
"energy": -52.20313679,
"energy_per_atom": -5.220313679,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.76313678999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.624000Z",
"spacegroup": 225
},
{
"id": "mp-559311",
"created_at": "2022-09-04T14:46:29.391849Z",
"structure_string": "Rb8 Mn8 V8 O32\n1.0\n5.754227 -9.966613 0.000000\n5.754227 9.966613 0.000000\n0.000000 0.000000 9.208440\nRb Mn V O\n8 8 8 32\ndirect\n0.000000 0.000000 0.386207 Rb\n0.000000 0.000000 0.886207 Rb\n0.472525 0.517354 0.400535 Rb\n0.955171 0.472525 0.900535 Rb\n0.482646 0.955171 0.400535 Rb\n0.527475 0.482646 0.900535 Rb\n0.044829 0.527475 0.400535 Rb\n0.517354 0.044829 0.900535 Rb\n0.835036 0.164246 0.203580 Mn\n0.835754 0.670790 0.203580 Mn\n0.670790 0.835036 0.703580 Mn\n0.164246 0.329210 0.703580 Mn\n0.666667 0.333333 0.567933 Mn\n0.329210 0.164964 0.203580 Mn\n0.333333 0.666667 0.067933 Mn\n0.164964 0.835754 0.703580 Mn\n0.172665 0.840187 0.095241 V\n0.827335 0.159813 0.595241 V\n0.332478 0.172665 0.595241 V\n0.667522 0.827335 0.095241 V\n0.666667 0.333333 0.159558 V\n0.159813 0.332478 0.095241 V\n0.333333 0.666667 0.659558 V\n0.840187 0.667522 0.595241 V\n0.232159 0.503989 0.591884 O\n0.307417 0.484058 0.133945 O\n0.818796 0.806060 0.621944 O\n0.503989 0.271830 0.091884 O\n0.012736 0.818796 0.121944 O\n0.667186 0.781026 0.915060 O\n0.289207 0.971089 0.204220 O\n0.271830 0.767841 0.591884 O\n0.728170 0.232159 0.091884 O\n0.823359 0.307417 0.633945 O\n0.666667 0.333333 0.346678 O\n0.781026 0.113839 0.415060 O\n0.028911 0.318118 0.204220 O\n0.333333 0.666667 0.846678 O\n0.886161 0.667186 0.415060 O\n0.318118 0.289207 0.704220 O\n0.484058 0.176641 0.633945 O\n0.332814 0.218974 0.415060 O\n0.218974 0.886161 0.915060 O\n0.767841 0.496011 0.091884 O\n0.681882 0.710793 0.204220 O\n0.515942 0.823359 0.133945 O\n0.987264 0.181204 0.621944 O\n0.806060 0.987264 0.121944 O\n0.496011 0.728170 0.591884 O\n0.181204 0.193940 0.121944 O\n0.710793 0.028911 0.704220 O\n0.971089 0.681882 0.704220 O\n0.692583 0.515942 0.633945 O\n0.113839 0.332814 0.915060 O\n0.193940 0.012736 0.621944 O\n0.176641 0.692583 0.133945 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-Rb-V",
"density": 3.2115575230790223,
"density_atomic": 0.05301971428747777,
"volume": 1056.2108972591373,
"volume_molar": 11.358304813465042,
"formula_full": "Rb8 Mn8 V8 O32",
"formula_reduced": "RbMnVO4",
"formula_anonymous": "ABCD4",
"energy": -443.25123225,
"energy_per_atom": -7.9152005758928565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -394.32323225,
"band_gap": 2.7323,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 40.0042628,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:40.977000Z",
"spacegroup": 173
},
{
"id": "mp-19472",
"created_at": "2022-09-04T14:45:08.630622Z",
"structure_string": "Rb8 Mn4 V8 O28\n1.0\n8.758170 0.000000 0.000000\n0.000000 8.758170 0.000000\n0.000000 0.000000 12.059098\nRb Mn V O\n8 4 8 28\ndirect\n0.150619 0.849381 0.500000 Rb\n0.650619 0.650619 0.000000 Rb\n0.349381 0.349381 0.000000 Rb\n0.849381 0.150619 0.500000 Rb\n0.679627 0.679627 0.500000 Rb\n0.820373 0.179627 0.000000 Rb\n0.179627 0.820373 0.000000 Rb\n0.320373 0.320373 0.500000 Rb\n0.000000 0.500000 0.750000 Mn\n0.000000 0.500000 0.250000 Mn\n0.500000 0.000000 0.750000 Mn\n0.500000 0.000000 0.250000 Mn\n0.639149 0.360851 0.716072 V\n0.360851 0.639149 0.716072 V\n0.360851 0.639149 0.283928 V\n0.860851 0.860851 0.216072 V\n0.139149 0.139149 0.216072 V\n0.860851 0.860851 0.783928 V\n0.139149 0.139149 0.783928 V\n0.639149 0.360851 0.283928 V\n0.640222 0.359778 0.855536 O\n0.359778 0.640222 0.855536 O\n0.359778 0.640222 0.144464 O\n0.859778 0.859778 0.355536 O\n0.140222 0.140222 0.355536 O\n0.859778 0.859778 0.644464 O\n0.140222 0.140222 0.644464 O\n0.640222 0.359778 0.144464 O\n0.500000 0.500000 0.663626 O\n0.000000 0.000000 0.163626 O\n0.000000 0.000000 0.836374 O\n0.500000 0.500000 0.336374 O\n0.183498 0.586693 0.337477 O\n0.816502 0.413307 0.337477 O\n0.586693 0.183498 0.662523 O\n0.086693 0.316502 0.837477 O\n0.913307 0.683498 0.837477 O\n0.316502 0.086693 0.162523 O\n0.683498 0.913307 0.162523 O\n0.413307 0.816502 0.662523 O\n0.586693 0.183498 0.337477 O\n0.316502 0.086693 0.837477 O\n0.683498 0.913307 0.837477 O\n0.086693 0.316502 0.162523 O\n0.913307 0.683498 0.162523 O\n0.413307 0.816502 0.337477 O\n0.183498 0.586693 0.662523 O\n0.816502 0.413307 0.662523 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-Rb-V",
"density": 3.1577357609986545,
"density_atomic": 0.05189191180194462,
"volume": 924.9996450930764,
"volume_molar": 11.605162636876145,
"formula_full": "Rb8 Mn4 V8 O28",
"formula_reduced": "Rb2MnV2O7",
"formula_anonymous": "AB2C2D7",
"energy": -370.37677211,
"energy_per_atom": -7.716182752291666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -330.86877211,
"band_gap": 2.2777000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9989349,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.300000Z",
"spacegroup": 136
},
{
"id": "mp-555873",
"created_at": "2022-09-04T14:45:55.455998Z",
"structure_string": "Rb4 Mo2 As4 O18\n1.0\n-7.666093 0.000000 0.000000\n-0.273997 -7.788792 0.000000\n1.977168 3.064689 8.482087\nRb Mo As O\n4 2 4 18\ndirect\n0.916357 0.252570 0.634543 Rb\n0.189567 0.831354 0.881173 Rb\n0.083643 0.747430 0.365457 Rb\n0.810433 0.168646 0.118827 Rb\n0.426117 0.236680 0.745269 Mo\n0.573883 0.763320 0.254731 Mo\n0.316610 0.348010 0.098168 As\n0.683390 0.651990 0.901832 As\n0.672292 0.835956 0.642325 As\n0.327708 0.164044 0.357675 As\n0.730905 0.947510 0.335431 O\n0.482959 0.222359 0.537330 O\n0.286992 0.421896 0.767266 O\n0.713008 0.578104 0.232734 O\n0.655136 0.059858 0.754575 O\n0.330830 0.580748 0.160594 O\n0.517041 0.777641 0.462670 O\n0.568992 0.703363 0.729452 O\n0.344864 0.940142 0.245425 O\n0.112861 0.248656 0.024795 O\n0.887139 0.751344 0.975205 O\n0.880862 0.780682 0.624395 O\n0.461406 0.246761 0.972513 O\n0.431008 0.296637 0.270548 O\n0.269095 0.052490 0.664569 O\n0.669170 0.419252 0.839406 O\n0.119138 0.219318 0.375605 O\n0.538594 0.753239 0.027487 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Mo",
"As",
"O"
],
"chemical_system": "As-Mo-O-Rb",
"density": 3.6768263199296434,
"density_atomic": 0.05528548438271218,
"volume": 506.46205441867534,
"volume_molar": 10.892806361814442,
"formula_full": "Rb4 Mo2 As4 O18",
"formula_reduced": "Rb2MoAs2O9",
"formula_anonymous": "AB2C2D9",
"energy": -188.11178934,
"energy_per_atom": -6.718278190714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.34178934,
"band_gap": 2.761,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.006369,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.319000Z",
"spacegroup": 2
},
{
"id": "mp-818272",
"created_at": "2022-09-04T14:42:19.835575Z",
"structure_string": "Rb4 Mo6 As8 O44\n1.0\n5.046032 10.766384 0.000000\n-5.046032 10.766384 0.000000\n0.000000 1.262372 9.561941\nRb Mo As O\n4 6 8 44\ndirect\n0.643702 0.107252 0.624423 Rb\n0.892748 0.356298 0.875577 Rb\n0.356298 0.892748 0.375577 Rb\n0.107252 0.643702 0.124423 Rb\n0.665565 0.975756 0.227559 Mo\n0.024244 0.334435 0.272441 Mo\n0.334435 0.024244 0.772441 Mo\n0.975756 0.665565 0.727559 Mo\n0.550889 0.449111 0.250000 Mo\n0.449111 0.550889 0.750000 Mo\n0.319092 0.199108 0.057703 As\n0.800892 0.680908 0.442297 As\n0.680908 0.800892 0.942297 As\n0.199108 0.319092 0.557703 As\n0.525487 0.284125 0.010540 As\n0.715875 0.474513 0.489460 As\n0.474513 0.715875 0.989460 As\n0.284125 0.525487 0.510540 As\n0.243062 0.174414 0.940003 O\n0.825586 0.756938 0.559997 O\n0.756938 0.825586 0.059997 O\n0.174414 0.243062 0.440003 O\n0.179181 0.339399 0.162449 O\n0.660601 0.820819 0.337551 O\n0.820819 0.660601 0.837551 O\n0.339399 0.179181 0.662449 O\n0.456110 0.046288 0.146919 O\n0.953712 0.543890 0.353081 O\n0.543890 0.953712 0.853081 O\n0.046288 0.456110 0.646919 O\n0.385646 0.286269 0.959186 O\n0.713731 0.614354 0.540814 O\n0.614354 0.713731 0.040814 O\n0.286269 0.385646 0.459186 O\n0.663449 0.108424 0.068620 O\n0.891576 0.336551 0.431380 O\n0.336551 0.891576 0.931380 O\n0.108424 0.663449 0.568620 O\n0.581945 0.330033 0.861841 O\n0.669967 0.418055 0.638159 O\n0.418055 0.669967 0.138159 O\n0.330033 0.581945 0.361841 O\n0.443425 0.406910 0.141224 O\n0.593090 0.556575 0.358776 O\n0.556575 0.593090 0.858776 O\n0.406910 0.443425 0.641224 O\n0.554834 0.109444 0.346973 O\n0.890556 0.445166 0.153027 O\n0.445166 0.890556 0.653027 O\n0.109444 0.554834 0.846973 O\n0.841432 0.894537 0.270721 O\n0.105463 0.158568 0.229279 O\n0.158568 0.105463 0.729279 O\n0.894537 0.841432 0.770721 O\n0.693713 0.378803 0.124050 O\n0.621197 0.306287 0.375950 O\n0.306287 0.621197 0.875950 O\n0.378803 0.693713 0.624050 O\n0.966457 0.032513 0.553691 O\n0.967487 0.033543 0.946309 O\n0.033543 0.967487 0.446309 O\n0.032513 0.966457 0.053691 O\n",
"nsites": 62,
"nelements": 4,
"elements": [
"Rb",
"Mo",
"As",
"O"
],
"chemical_system": "As-Mo-O-Rb",
"density": 3.549554829397847,
"density_atomic": 0.05967545902863101,
"volume": 1038.9530471856735,
"volume_molar": 10.091486279327498,
"formula_full": "Rb4 Mo6 As8 O44",
"formula_reduced": "Rb2Mo3(As2O11)2",
"formula_anonymous": "A2B3C4D22",
"energy": -411.95699201,
"energy_per_atom": -6.644467613064516,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -385.66099201,
"band_gap": 2.0929,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0010348,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.677000Z",
"spacegroup": 15
}
]
}