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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=11456",
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"results": [
{
"id": "mp-13735",
"created_at": "2022-09-04T14:41:36.882621Z",
"structure_string": "Rb4 Tb2 O6\n1.0\n3.720855 -5.616588 0.000000\n3.720855 5.616588 0.000000\n0.000000 0.000000 6.395433\nRb Tb O\n4 2 6\ndirect\n0.525479 0.198348 0.767678 Rb\n0.198348 0.525479 0.767678 Rb\n0.474521 0.801652 0.267678 Rb\n0.801652 0.474521 0.267678 Rb\n0.095582 0.095582 0.229436 Tb\n0.904418 0.904418 0.729436 Tb\n0.629515 0.629515 0.638285 O\n0.370485 0.370485 0.138285 O\n0.094377 0.843277 0.998462 O\n0.905623 0.156723 0.498462 O\n0.843277 0.094377 0.998462 O\n0.156723 0.905623 0.498462 O\n",
"nsites": 12,
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"elements": [
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"O"
],
"chemical_system": "O-Rb-Tb",
"density": 4.6945478860872,
"density_atomic": 0.044891692871824054,
"volume": 267.3100351609086,
"volume_molar": 13.414822152496173,
"formula_full": "Rb4 Tb2 O6",
"formula_reduced": "Rb2TbO3",
"formula_anonymous": "AB2C3",
"energy": -70.40876416,
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"updated_at": "2021-11-28T01:35:28.859000Z",
"spacegroup": 36
},
{
"id": "mp-1209304",
"created_at": "2022-09-04T14:43:01.350371Z",
"structure_string": "Rb3 Tb1 V2 O8\n1.0\n-3.046981 -5.277527 0.000000\n-3.046981 5.277527 0.000000\n0.000000 0.000000 -7.890259\nRb Tb V O\n3 1 2 8\ndirect\n0.666667 0.333333 0.313010 Rb\n0.333333 0.666667 0.686990 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Tb\n0.666667 0.333333 0.749455 V\n0.333333 0.666667 0.250545 V\n0.666667 0.333333 0.962463 O\n0.333333 0.666667 0.037537 O\n0.824129 0.648258 0.671297 O\n0.175871 0.351742 0.328703 O\n0.824129 0.175871 0.671297 O\n0.175871 0.824129 0.328703 O\n0.351742 0.175871 0.671297 O\n0.648258 0.824129 0.328703 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Tb",
"V",
"O"
],
"chemical_system": "O-Rb-Tb-V",
"density": 4.222082054601048,
"density_atomic": 0.055170455647772954,
"volume": 253.7590062583638,
"volume_molar": 10.915517534325627,
"formula_full": "Rb3 Tb1 V2 O8",
"formula_reduced": "Rb3TbV2O8",
"formula_anonymous": "AB2C3D8",
"energy": -103.32371114,
"energy_per_atom": -7.380265081428571,
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"energy_uncorrected": -94.42771114,
"band_gap": 3.3869,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.844000Z",
"spacegroup": 164
},
{
"id": "mp-1209144",
"created_at": "2022-09-04T14:46:52.065535Z",
"structure_string": "Rb2 Tb2 W4 O16\n1.0\n5.334551 5.474487 0.000000\n-5.334551 5.474487 0.000000\n0.000000 4.852391 5.744738\nRb Tb W O\n2 2 4 16\ndirect\n0.200186 0.799814 0.750000 Rb\n0.799814 0.200186 0.250000 Rb\n0.775864 0.224136 0.750000 Tb\n0.224136 0.775864 0.250000 Tb\n0.699728 0.689157 0.782101 W\n0.300272 0.310843 0.217899 W\n0.310843 0.300272 0.717899 W\n0.689157 0.699728 0.282101 W\n0.621172 0.751755 0.561141 O\n0.378828 0.248245 0.438859 O\n0.248245 0.378828 0.938859 O\n0.751755 0.621172 0.061141 O\n0.374269 0.060972 0.873257 O\n0.625731 0.939028 0.126743 O\n0.939028 0.625731 0.626743 O\n0.060972 0.374269 0.373257 O\n0.591040 0.370249 0.967508 O\n0.408960 0.629751 0.032492 O\n0.629751 0.408960 0.532492 O\n0.370249 0.591040 0.467508 O\n0.782826 0.953966 0.692281 O\n0.217174 0.046034 0.307719 O\n0.046034 0.217174 0.807719 O\n0.953966 0.782826 0.192281 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"Tb",
"W",
"O"
],
"chemical_system": "O-Rb-Tb-W",
"density": 7.325029903499412,
"density_atomic": 0.0715269520692141,
"volume": 335.53785399349954,
"volume_molar": 8.419400779404926,
"formula_full": "Rb2 Tb2 W4 O16",
"formula_reduced": "RbTb(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -206.33710334,
"energy_per_atom": -8.597379305833334,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -177.59310334,
"band_gap": 3.4143000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45Z",
"spacegroup": 15
},
{
"id": "mp-975115",
"created_at": "2022-09-04T14:44:27.944249Z",
"structure_string": "Rb2 Tc2 O8\n1.0\n-2.953414 2.953414 6.833796\n2.953414 -2.953414 6.833796\n2.953414 2.953414 -6.833796\nRb Tc O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.000000 Tc\n0.250000 0.750000 0.500000 Tc\n0.681266 0.790135 0.325565 O\n0.105701 0.931266 0.391132 O\n0.209865 0.535431 0.891132 O\n0.464569 0.355701 0.674435 O\n0.285431 0.894299 0.825565 O\n0.540135 0.714569 0.608868 O\n0.644299 0.318734 0.108868 O\n0.068734 0.459865 0.174435 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Tc",
"O"
],
"chemical_system": "O-Rb-Tc",
"density": 3.446854241643678,
"density_atomic": 0.05032810589978545,
"volume": 238.4353590396327,
"volume_molar": 11.965760785815053,
"formula_full": "Rb2 Tc2 O8",
"formula_reduced": "RbTcO4",
"formula_anonymous": "ABC4",
"energy": -88.17844434999999,
"energy_per_atom": -7.348203695833333,
"energy_above_hull": null,
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"energy_uncorrected": -82.68244435,
"band_gap": 3.2685,
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"is_magnetic": false,
"total_magnetization": 0.0002319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.022000Z",
"spacegroup": 88
},
{
"id": "mp-561228",
"created_at": "2022-09-04T14:46:14.227460Z",
"structure_string": "Rb16 Te32 O92\n1.0\n7.427775 0.000000 0.000000\n0.000000 14.922836 0.000000\n0.000000 0.000000 20.297703\nRb Te O\n16 32 92\ndirect\n0.121837 0.250832 0.071555 Rb\n0.621376 0.505772 0.313435 Rb\n0.621837 0.750832 0.428445 Rb\n0.120703 0.502811 0.174771 Rb\n0.121376 0.494228 0.686565 Rb\n0.120703 0.997189 0.674771 Rb\n0.121459 0.757134 0.062850 Rb\n0.621459 0.242866 0.937150 Rb\n0.620703 0.002811 0.325229 Rb\n0.121376 0.005772 0.186565 Rb\n0.121459 0.742866 0.562850 Rb\n0.621837 0.749168 0.928445 Rb\n0.620703 0.497189 0.825229 Rb\n0.121837 0.249168 0.571555 Rb\n0.621459 0.257134 0.437150 Rb\n0.621376 0.994228 0.813435 Rb\n0.869676 0.000023 0.499921 Te\n0.620399 0.381879 0.128421 Te\n0.620974 0.123256 0.135473 Te\n0.620145 0.628305 0.122566 Te\n0.120145 0.128305 0.377434 Te\n0.620974 0.376744 0.635473 Te\n0.120974 0.623256 0.364527 Te\n0.620931 0.872620 0.107879 Te\n0.871174 0.000017 0.000064 Te\n0.120931 0.372620 0.392121 Te\n0.369676 0.500023 0.000079 Te\n0.370805 0.761296 0.243898 Te\n0.120399 0.618121 0.871579 Te\n0.371174 0.500017 0.499936 Te\n0.871174 0.499983 0.500064 Te\n0.870805 0.238704 0.756102 Te\n0.120931 0.127380 0.892121 Te\n0.120145 0.371695 0.877434 Te\n0.370398 0.260940 0.256193 Te\n0.120974 0.876744 0.864527 Te\n0.370398 0.239060 0.756193 Te\n0.371174 0.999983 0.999936 Te\n0.120399 0.881879 0.371579 Te\n0.870805 0.261296 0.256102 Te\n0.870398 0.760940 0.243807 Te\n0.870398 0.739060 0.743807 Te\n0.620931 0.627380 0.607879 Te\n0.869676 0.499977 0.999921 Te\n0.369676 0.999977 0.500079 Te\n0.620145 0.871695 0.622566 Te\n0.620399 0.118121 0.628421 Te\n0.370805 0.738704 0.743898 Te\n0.120727 0.729137 0.217680 O\n0.932276 0.154771 0.313075 O\n0.620152 0.747587 0.081058 O\n0.363121 0.679724 0.316135 O\n0.808814 0.845472 0.686706 O\n0.805430 0.135326 0.701330 O\n0.120727 0.770863 0.717680 O\n0.305430 0.864674 0.298670 O\n0.420641 0.048507 0.087045 O\n0.363121 0.820276 0.816135 O\n0.120152 0.252413 0.918942 O\n0.920641 0.548507 0.412955 O\n0.935583 0.635817 0.798688 O\n0.310026 0.395780 0.941327 O\n0.619714 0.508275 0.160962 O\n0.308814 0.154528 0.313294 O\n0.888090 0.422689 0.073637 O\n0.119714 0.491725 0.839038 O\n0.354795 0.160594 0.830644 O\n0.121239 0.526053 0.531536 O\n0.810026 0.895780 0.558673 O\n0.810026 0.604220 0.058673 O\n0.821873 0.451321 0.587138 O\n0.620727 0.229137 0.282320 O\n0.120242 0.777373 0.919534 O\n0.351778 0.422595 0.073719 O\n0.932276 0.345229 0.813075 O\n0.620152 0.752413 0.581058 O\n0.620242 0.277373 0.580466 O\n0.321873 0.548679 0.412862 O\n0.378245 0.179034 0.184166 O\n0.308051 0.380481 0.467753 O\n0.808051 0.880481 0.032247 O\n0.435583 0.135817 0.701312 O\n0.386711 0.839808 0.169492 O\n0.808814 0.654528 0.186706 O\n0.886711 0.160192 0.830508 O\n0.432276 0.654771 0.186925 O\n0.620706 0.708966 0.769083 O\n0.308814 0.345472 0.813294 O\n0.308051 0.119519 0.967753 O\n0.886711 0.339808 0.330508 O\n0.920641 0.951493 0.912955 O\n0.929339 0.104211 0.441052 O\n0.821873 0.048679 0.087138 O\n0.619714 0.991725 0.660962 O\n0.621239 0.473947 0.468464 O\n0.429339 0.604211 0.058948 O\n0.420641 0.451493 0.587045 O\n0.378245 0.320966 0.684166 O\n0.620727 0.270863 0.782320 O\n0.119741 0.956736 0.511255 O\n0.621239 0.026053 0.968464 O\n0.854795 0.660594 0.669356 O\n0.808051 0.619519 0.532247 O\n0.619741 0.456736 0.988745 O\n0.386711 0.660192 0.669492 O\n0.119741 0.543264 0.011255 O\n0.434422 0.880479 0.032071 O\n0.805430 0.364674 0.201330 O\n0.851778 0.577405 0.926281 O\n0.878245 0.820966 0.815834 O\n0.934422 0.119521 0.967929 O\n0.119714 0.008275 0.339038 O\n0.351778 0.077405 0.573719 O\n0.934422 0.380479 0.467929 O\n0.888090 0.077311 0.573637 O\n0.429339 0.895789 0.558948 O\n0.863121 0.179724 0.183865 O\n0.310026 0.104220 0.441327 O\n0.388090 0.922689 0.426363 O\n0.435583 0.364183 0.201312 O\n0.354795 0.339406 0.330644 O\n0.120152 0.247587 0.418942 O\n0.863121 0.320276 0.683865 O\n0.619741 0.043264 0.488745 O\n0.854795 0.839406 0.169356 O\n0.620706 0.791034 0.269083 O\n0.120706 0.291034 0.230917 O\n0.620242 0.222627 0.080466 O\n0.851778 0.922595 0.426281 O\n0.120706 0.208966 0.730917 O\n0.388090 0.577311 0.926363 O\n0.929339 0.395789 0.941052 O\n0.120242 0.722627 0.419534 O\n0.321873 0.951321 0.912862 O\n0.434422 0.619521 0.532071 O\n0.121239 0.973947 0.031536 O\n0.305430 0.635326 0.798670 O\n0.878245 0.679034 0.315834 O\n0.935583 0.864183 0.298688 O\n0.432276 0.845229 0.686925 O\n",
"nsites": 140,
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"elements": [
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"Te",
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],
"chemical_system": "O-Rb-Te",
"density": 5.109321051122153,
"density_atomic": 0.06222587843776973,
"volume": 2249.8677964025833,
"volume_molar": 9.677871829519557,
"formula_full": "Rb16 Te32 O92",
"formula_reduced": "Rb4Te8O23",
"formula_anonymous": "A4B8C23",
"energy": -800.7176830599999,
"energy_per_atom": -5.719412021857142,
"energy_above_hull": null,
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"energy_uncorrected": -737.51368306,
"band_gap": 1.1452,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.099000Z",
"spacegroup": 62
},
{
"id": "mp-38070",
"created_at": "2022-09-04T14:39:37.511251Z",
"structure_string": "Rb2 Te4 O12\n1.0\n0.000000 5.257942 5.257942\n5.257942 0.000000 5.257942\n5.257942 5.257942 0.000000\nRb Te O\n2 4 12\ndirect\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Rb\n0.625000 0.625000 0.625000 Te\n0.625000 0.625000 0.125000 Te\n0.125000 0.625000 0.625000 Te\n0.625000 0.125000 0.625000 Te\n0.555201 0.555201 0.944799 O\n0.944799 0.555201 0.555201 O\n0.305201 0.305201 0.694799 O\n0.694799 0.305201 0.305201 O\n0.555201 0.944799 0.555201 O\n0.944799 0.555201 0.944799 O\n0.694799 0.305201 0.694799 O\n0.555201 0.944799 0.944799 O\n0.944799 0.944799 0.555201 O\n0.305201 0.694799 0.305201 O\n0.694799 0.694799 0.305201 O\n0.305201 0.694799 0.694799 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Te",
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],
"chemical_system": "O-Rb-Te",
"density": 4.988262640558499,
"density_atomic": 0.061914894332318476,
"volume": 290.72164612585505,
"volume_molar": 9.726481527493377,
"formula_full": "Rb2 Te4 O12",
"formula_reduced": "Rb(TeO3)2",
"formula_anonymous": "AB2C6",
"energy": -103.38369569,
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"updated_at": "2021-11-28T01:34:28.943000Z",
"spacegroup": 227
},
{
"id": "mp-31039",
"created_at": "2022-09-04T14:43:17.785533Z",
"structure_string": "Rb12 Te4 O18\n1.0\n6.461736 6.137698 0.000000\n-6.461736 6.137698 0.000000\n0.000000 6.126263 9.411386\nRb Te O\n12 4 18\ndirect\n0.499108 0.696771 0.022975 Rb\n0.303229 0.500892 0.477025 Rb\n0.500892 0.303229 0.977025 Rb\n0.696771 0.499108 0.522975 Rb\n0.999580 0.705732 0.027726 Rb\n0.294268 0.000420 0.472274 Rb\n0.000420 0.294268 0.972274 Rb\n0.705732 0.999580 0.527726 Rb\n0.099176 0.324195 0.261095 Rb\n0.675805 0.900824 0.238905 Rb\n0.900824 0.675805 0.738905 Rb\n0.324195 0.099176 0.761095 Rb\n0.374209 0.625791 0.750000 Te\n0.625791 0.374209 0.250000 Te\n0.145915 0.854085 0.250000 Te\n0.854085 0.145915 0.750000 Te\n0.093081 0.633545 0.284811 O\n0.366455 0.906919 0.215189 O\n0.906919 0.366455 0.715189 O\n0.633545 0.093081 0.784811 O\n0.885457 0.013408 0.907034 O\n0.986592 0.114543 0.592966 O\n0.114543 0.986592 0.092966 O\n0.013408 0.885457 0.407034 O\n0.668796 0.582926 0.255799 O\n0.417074 0.331204 0.244201 O\n0.331204 0.417074 0.744201 O\n0.582926 0.668796 0.755799 O\n0.520411 0.263509 0.457735 O\n0.736491 0.479589 0.042265 O\n0.479589 0.736491 0.542265 O\n0.263509 0.520411 0.957735 O\n0.225720 0.774280 0.750000 O\n0.774280 0.225720 0.250000 O\n",
"nsites": 34,
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"elements": [
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"Te",
"O"
],
"chemical_system": "O-Rb-Te",
"density": 4.057292240294311,
"density_atomic": 0.045544989813303,
"volume": 746.514603238952,
"volume_molar": 13.22240005911918,
"formula_full": "Rb12 Te4 O18",
"formula_reduced": "Rb6Te2O9",
"formula_anonymous": "A2B6C9",
"energy": -174.21913751000002,
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"updated_at": "2021-11-28T01:36:13.283000Z",
"spacegroup": 15
},
{
"id": "mp-1204243",
"created_at": "2022-09-04T14:47:38.778519Z",
"structure_string": "Rb16 Te32 O92\n1.0\n7.431061 0.000000 0.000000\n0.000000 14.942651 0.000000\n0.000000 0.000000 20.191346\nRb Te O\n16 32 92\ndirect\n0.123108 0.755417 0.937397 Rb\n0.623108 0.244583 0.062603 Rb\n0.623108 0.255417 0.562603 Rb\n0.123108 0.744583 0.437397 Rb\n0.622304 0.505808 0.686548 Rb\n0.122304 0.494192 0.313452 Rb\n0.122304 0.005808 0.813452 Rb\n0.622304 0.994192 0.186548 Rb\n0.121526 0.503900 0.823852 Rb\n0.621526 0.496100 0.176148 Rb\n0.621526 0.003900 0.676148 Rb\n0.121526 0.996100 0.323852 Rb\n0.622408 0.751030 0.571138 Rb\n0.122408 0.248970 0.428862 Rb\n0.122408 0.251030 0.928862 Rb\n0.622408 0.748970 0.071138 Rb\n0.122870 0.623941 0.635254 Te\n0.622870 0.376059 0.364746 Te\n0.622870 0.123941 0.864746 Te\n0.122870 0.876059 0.135254 Te\n0.623602 0.872065 0.891425 Te\n0.123602 0.127935 0.108575 Te\n0.123602 0.372065 0.608575 Te\n0.623602 0.627935 0.391425 Te\n0.120565 0.882775 0.628922 Te\n0.620565 0.117225 0.371078 Te\n0.620565 0.382775 0.871078 Te\n0.120565 0.617225 0.128922 Te\n0.371438 0.499673 0.499433 Te\n0.871438 0.500327 0.500567 Te\n0.871438 0.999673 0.000567 Te\n0.371438 0.000327 0.999433 Te\n0.368246 0.000471 0.499816 Te\n0.868246 0.999529 0.500184 Te\n0.868246 0.500471 0.000184 Te\n0.368246 0.499529 0.999816 Te\n0.618053 0.628425 0.877431 Te\n0.118053 0.371575 0.122569 Te\n0.118053 0.128425 0.622569 Te\n0.618053 0.871575 0.377431 Te\n0.371094 0.762569 0.756293 Te\n0.871094 0.237431 0.243707 Te\n0.871094 0.262569 0.743707 Te\n0.371094 0.737431 0.256293 Te\n0.871725 0.759664 0.756407 Te\n0.371725 0.240336 0.243593 Te\n0.371725 0.259664 0.743593 Te\n0.871725 0.740336 0.256407 Te\n0.807871 0.880214 0.968192 O\n0.307871 0.119786 0.031808 O\n0.307871 0.380214 0.531808 O\n0.807871 0.619786 0.468192 O\n0.121361 0.973813 0.968210 O\n0.621361 0.026187 0.031790 O\n0.621361 0.473813 0.531790 O\n0.121361 0.526187 0.468210 O\n0.322420 0.548017 0.587211 O\n0.822420 0.451983 0.412789 O\n0.822420 0.048017 0.912789 O\n0.322420 0.951983 0.087211 O\n0.435388 0.881462 0.966572 O\n0.935388 0.118538 0.033428 O\n0.935388 0.381462 0.533428 O\n0.435388 0.618538 0.466572 O\n0.920905 0.548778 0.588243 O\n0.420905 0.451222 0.411757 O\n0.420905 0.048778 0.911757 O\n0.920905 0.951222 0.088243 O\n0.807204 0.605188 0.942081 O\n0.307204 0.394812 0.057919 O\n0.307204 0.105188 0.557919 O\n0.807204 0.894812 0.442081 O\n0.850938 0.922881 0.574844 O\n0.350938 0.077119 0.425156 O\n0.350938 0.422881 0.925156 O\n0.850938 0.577119 0.074844 O\n0.118669 0.543766 0.989409 O\n0.618669 0.456234 0.010591 O\n0.618669 0.043766 0.510591 O\n0.118669 0.956234 0.489409 O\n0.426565 0.604304 0.941094 O\n0.926565 0.395696 0.058906 O\n0.926565 0.104304 0.558906 O\n0.426565 0.895696 0.441094 O\n0.388747 0.924642 0.574433 O\n0.888747 0.075358 0.425567 O\n0.888747 0.424642 0.925567 O\n0.388747 0.575358 0.074433 O\n0.617259 0.508370 0.838555 O\n0.117259 0.491630 0.161445 O\n0.117259 0.008370 0.661445 O\n0.617259 0.991630 0.338555 O\n0.806503 0.652516 0.812372 O\n0.306503 0.347484 0.187628 O\n0.306503 0.152516 0.687628 O\n0.806503 0.847484 0.312372 O\n0.429644 0.655299 0.813317 O\n0.929644 0.344701 0.186683 O\n0.929644 0.155299 0.686683 O\n0.429644 0.844701 0.313317 O\n0.618385 0.747747 0.919099 O\n0.118385 0.252253 0.080901 O\n0.118385 0.247747 0.580901 O\n0.618385 0.752253 0.419099 O\n0.369267 0.684487 0.682025 O\n0.869267 0.315513 0.317975 O\n0.869267 0.184487 0.817975 O\n0.369267 0.815513 0.182025 O\n0.622262 0.794806 0.734509 O\n0.122262 0.205194 0.265491 O\n0.122262 0.294806 0.765491 O\n0.622262 0.705194 0.234509 O\n0.381713 0.839586 0.832062 O\n0.881713 0.160414 0.167938 O\n0.881713 0.339586 0.667938 O\n0.381713 0.660414 0.332062 O\n0.122059 0.725333 0.780321 O\n0.622059 0.274667 0.219679 O\n0.622059 0.225333 0.719679 O\n0.122059 0.774667 0.280321 O\n0.302904 0.867924 0.703639 O\n0.802904 0.132076 0.296361 O\n0.802904 0.367924 0.796361 O\n0.302904 0.632076 0.203639 O\n0.875069 0.679001 0.683399 O\n0.375069 0.320999 0.316601 O\n0.375069 0.179001 0.816601 O\n0.875069 0.820999 0.183399 O\n0.865277 0.835080 0.833151 O\n0.365277 0.164920 0.166849 O\n0.365277 0.335080 0.666849 O\n0.865277 0.664920 0.333151 O\n0.933944 0.863415 0.701134 O\n0.433944 0.136585 0.298866 O\n0.433944 0.363415 0.798866 O\n0.933944 0.636585 0.201134 O\n0.120300 0.721337 0.578391 O\n0.620300 0.278663 0.421609 O\n0.620300 0.221337 0.921609 O\n0.120300 0.778663 0.078391 O\n",
"nsites": 140,
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"elements": [
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],
"chemical_system": "O-Rb-Te",
"density": 5.127154942133546,
"density_atomic": 0.06244307550231975,
"volume": 2242.0420338648923,
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"formula_full": "Rb16 Te32 O92",
"formula_reduced": "Rb4Te8O23",
"formula_anonymous": "A4B8C23",
"energy": -800.9802176600001,
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"energy_uncorrected": -737.77621766,
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"updated_at": "2021-11-28T01:38:14.082000Z",
"spacegroup": 33
},
{
"id": "mp-975190",
"created_at": "2022-09-04T14:42:11.967266Z",
"structure_string": "Rb1 Te1 O3\n1.0\n4.172344 0.000000 0.000000\n0.000000 4.172344 0.000000\n0.000000 0.000000 4.172344\nRb Te O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Te\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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],
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"density": 5.96841604373481,
"density_atomic": 0.068838227770055,
"volume": 72.63406049182207,
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"formula_full": "Rb1 Te1 O3",
"formula_reduced": "RbTeO3",
"formula_anonymous": "ABC3",
"energy": -26.83209345,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:33.898000Z",
"spacegroup": 221
},
{
"id": "mp-8248",
"created_at": "2022-09-04T14:40:54.018034Z",
"structure_string": "Rb4 Te2 O6\n1.0\n3.294804 5.921194 0.000000\n-3.294804 5.921194 0.000000\n0.000000 0.666859 7.645947\nRb Te O\n4 2 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.682861 0.682861 0.861726 Rb\n0.000000 0.000000 0.500000 Rb\n0.317139 0.317139 0.138274 Rb\n0.663062 0.663062 0.339843 Te\n0.336938 0.336938 0.660157 Te\n0.391165 0.834822 0.212097 O\n0.165178 0.608835 0.787903 O\n0.608835 0.165178 0.787903 O\n0.834822 0.391165 0.212097 O\n0.180907 0.180907 0.730811 O\n0.819093 0.819093 0.269189 O\n",
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],
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"density_atomic": 0.04022361435079502,
"volume": 298.33221588061537,
"volume_molar": 14.97165497729811,
"formula_full": "Rb4 Te2 O6",
"formula_reduced": "Rb2TeO3",
"formula_anonymous": "AB2C3",
"energy": -61.88406942,
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"updated_at": "2021-11-28T01:35:24.703000Z",
"spacegroup": 12
},
{
"id": "mp-1219780",
"created_at": "2022-09-04T14:44:58.274739Z",
"structure_string": "Rb2 Te3 O12\n1.0\n6.694280 -3.565213 0.000000\n6.694280 3.565213 0.000000\n4.795533 0.000000 5.875967\nRb Te O\n2 3 12\ndirect\n0.370703 0.370703 0.370703 Rb\n0.629297 0.629297 0.629297 Rb\n0.500000 0.000000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.000000 0.500000 0.000000 Te\n0.932455 0.333262 0.333262 O\n0.299621 0.958747 0.958747 O\n0.333262 0.333262 0.932455 O\n0.958747 0.958747 0.299621 O\n0.958747 0.299621 0.958747 O\n0.333262 0.932455 0.333262 O\n0.067545 0.666738 0.666738 O\n0.700379 0.041253 0.041253 O\n0.666738 0.666738 0.067545 O\n0.041253 0.041253 0.700379 O\n0.041253 0.700379 0.041253 O\n0.666738 0.067545 0.666738 O\n",
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"elements": [
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],
"chemical_system": "O-Rb-Te",
"density": 4.415003799207469,
"density_atomic": 0.06061082880136461,
"volume": 280.4779333361839,
"volume_molar": 9.935750556614092,
"formula_full": "Rb2 Te3 O12",
"formula_reduced": "Rb2(TeO4)3",
"formula_anonymous": "A2B3C12",
"energy": -91.4269945,
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"updated_at": "2021-11-28T01:36:44.655000Z",
"spacegroup": 166
},
{
"id": "mp-1540553",
"created_at": "2022-09-04T14:48:30.804938Z",
"structure_string": "Rb2 Ti1 Te3 O12\n1.0\n5.112932 -0.031384 -5.112945\n-5.144317 5.144317 0.000000\n5.112958 5.112958 0.031394\nRb Ti Te O\n2 1 3 12\ndirect\n0.261753 0.128192 0.630879 Rb\n0.738247 0.866439 0.369121 Rb\n0.000000 0.497336 0.000000 Ti\n0.499998 0.497332 0.999997 Te\n0.500002 0.997334 0.000003 Te\n0.000000 0.497334 0.500000 Te\n0.651841 0.823255 0.929367 O\n0.868811 0.431748 0.319320 O\n0.253733 0.431753 0.934391 O\n0.255271 0.823256 0.325919 O\n0.253731 0.816648 0.934409 O\n0.255276 0.426690 0.325916 O\n0.348159 0.171413 0.070633 O\n0.131189 0.562937 0.680680 O\n0.746269 0.562916 0.065591 O\n0.744724 0.171414 0.674084 O\n0.746267 0.178020 0.065609 O\n0.744729 0.567985 0.674081 O\n",
"nsites": 18,
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"elements": [
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"O"
],
"chemical_system": "O-Rb-Te-Ti",
"density": 4.884544572165867,
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"volume": 269.7889527476922,
"volume_molar": 9.026150271886618,
"formula_full": "Rb2 Ti1 Te3 O12",
"formula_reduced": "Rb2Ti(TeO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -114.65113084,
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"updated_at": "2021-11-28T01:39:55.389000Z",
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}
]
}