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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=1712",
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"results": [
{
"id": "mp-726397",
"created_at": "2022-09-04T14:41:57.542507Z",
"structure_string": "Mn8 Si4 H16 O24\n1.0\n5.412196 0.000000 0.000000\n0.000000 7.303111 0.000000\n0.000000 0.000000 12.887436\nMn Si H O\n8 4 16 24\ndirect\n0.999787 0.176248 0.687899 Mn\n0.499787 0.823752 0.312101 Mn\n0.499787 0.176248 0.812101 Mn\n0.999787 0.823752 0.187899 Mn\n0.978721 0.830476 0.458934 Mn\n0.478721 0.169524 0.541066 Mn\n0.478721 0.830476 0.041066 Mn\n0.978721 0.169524 0.958934 Mn\n0.185355 0.215123 0.314140 Si\n0.685355 0.784877 0.685860 Si\n0.685355 0.215123 0.185860 Si\n0.185355 0.784877 0.814140 Si\n0.749282 0.110270 0.381485 H\n0.249282 0.889730 0.618515 H\n0.249282 0.110270 0.118515 H\n0.749282 0.889730 0.881485 H\n0.351906 0.548466 0.183212 H\n0.851906 0.451534 0.816788 H\n0.851906 0.548466 0.316788 H\n0.351906 0.451534 0.683212 H\n0.298950 0.520183 0.434840 H\n0.798950 0.479817 0.565160 H\n0.798950 0.520183 0.065160 H\n0.298950 0.479817 0.934840 H\n0.472393 0.665555 0.499734 H\n0.972393 0.334445 0.500266 H\n0.972393 0.665555 0.000266 H\n0.472393 0.334445 0.999734 H\n0.173484 0.992094 0.317835 O\n0.673484 0.007906 0.682165 O\n0.673484 0.992094 0.182165 O\n0.173484 0.007906 0.817835 O\n0.674115 0.016536 0.425422 O\n0.174116 0.983464 0.574578 O\n0.174116 0.016536 0.074578 O\n0.674115 0.983464 0.925422 O\n0.347190 0.681989 0.177357 O\n0.847190 0.318011 0.822643 O\n0.847190 0.681989 0.322643 O\n0.347190 0.318011 0.677357 O\n0.334616 0.656915 0.446716 O\n0.834616 0.343085 0.553284 O\n0.834616 0.656915 0.053284 O\n0.334616 0.343085 0.946716 O\n0.227691 0.311897 0.426383 O\n0.727691 0.688103 0.573617 O\n0.727691 0.311897 0.073617 O\n0.227691 0.688103 0.926383 O\n0.908311 0.285190 0.268141 O\n0.408311 0.714810 0.731859 O\n0.408311 0.285190 0.231859 O\n0.908311 0.714810 0.768141 O\n",
"nsites": 52,
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"elements": [
"Mn",
"Si",
"H",
"O"
],
"chemical_system": "H-Mn-O-Si",
"density": 3.1032688531931507,
"density_atomic": 0.10208346541590375,
"volume": 509.38709602131934,
"volume_molar": 5.899232295323118,
"formula_full": "Mn8 Si4 H16 O24",
"formula_reduced": "Mn2Si(H2O3)2",
"formula_anonymous": "AB2C4D6",
"energy": -370.87258395,
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"updated_at": "2021-11-28T01:35:34.946000Z",
"spacegroup": 29
},
{
"id": "mp-778387",
"created_at": "2022-09-04T14:48:31.165190Z",
"structure_string": "Ba10 Y6 F38\n1.0\n-7.911767 7.911767 4.184203\n7.911767 -7.911767 4.184203\n7.911767 7.911767 -4.184203\nBa Y F\n10 6 38\ndirect\n0.309311 0.809311 0.500000 Ba\n0.733401 0.556203 0.302371 Ba\n0.753832 0.056203 0.822802 Ba\n0.056203 0.233401 0.302371 Ba\n0.431030 0.733401 0.177198 Ba\n0.556203 0.253832 0.822802 Ba\n0.931030 0.753832 0.697629 Ba\n0.253832 0.431030 0.697629 Ba\n0.233401 0.931030 0.177198 Ba\n0.809311 0.309311 0.500000 Ba\n0.835365 0.335365 0.164310 Y\n0.832938 0.832938 0.000000 Y\n0.332938 0.332938 0.000000 Y\n0.335365 0.171054 0.500000 Y\n0.671054 0.835365 0.500000 Y\n0.171054 0.671054 0.835690 Y\n0.069643 0.412151 0.163389 F\n0.912151 0.569643 0.163389 F\n0.988572 0.488572 0.356338 F\n0.521592 0.742442 0.630281 F\n0.612161 0.242442 0.220849 F\n0.948377 0.754179 0.988970 F\n0.585807 0.585807 0.000000 F\n0.085807 0.085807 0.000000 F\n0.448377 0.459407 0.194198 F\n0.112161 0.891312 0.369719 F\n0.132234 0.632234 0.643662 F\n0.557299 0.057299 0.709783 F\n0.847516 0.557299 0.500000 F\n0.959407 0.948377 0.194198 F\n0.254179 0.448377 0.988970 F\n0.242442 0.021592 0.630281 F\n0.757034 0.726006 0.500000 F\n0.726006 0.226006 0.968973 F\n0.748762 0.912151 0.342508 F\n0.248762 0.906254 0.836611 F\n0.569643 0.406254 0.657492 F\n0.257034 0.757034 0.031027 F\n0.226006 0.257034 0.500000 F\n0.391312 0.612161 0.369719 F\n0.742442 0.112161 0.220849 F\n0.754179 0.765209 0.805802 F\n0.459407 0.265209 0.011030 F\n0.347516 0.847516 0.290217 F\n0.057299 0.347516 0.500000 F\n0.906254 0.069643 0.657492 F\n0.632234 0.988572 0.500000 F\n0.265209 0.254179 0.805802 F\n0.765209 0.959407 0.011030 F\n0.021592 0.391312 0.779151 F\n0.488572 0.132234 0.500000 F\n0.412151 0.248762 0.342508 F\n0.406254 0.748762 0.836611 F\n0.891312 0.521592 0.779151 F\n",
"nsites": 54,
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"elements": [
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"Y",
"F"
],
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"density": 4.166402514223383,
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"volume": 1047.6584389928034,
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"formula_full": "Ba10 Y6 F38",
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"energy": -358.58390748,
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"updated_at": "2021-11-28T01:39:51.202000Z",
"spacegroup": 108
},
{
"id": "mp-1214377",
"created_at": "2022-09-04T14:39:31.726047Z",
"structure_string": "Ba2 Tb4 Mo8 O32\n1.0\n6.372746 2.670126 0.000000\n-6.372746 2.670126 0.000000\n0.000000 0.519874 19.557273\nBa Tb Mo O\n2 4 8 32\ndirect\n0.531914 0.468086 0.750000 Ba\n0.468086 0.531914 0.250000 Ba\n0.645050 0.348271 0.967309 Tb\n0.354950 0.651729 0.032691 Tb\n0.651729 0.354950 0.532691 Tb\n0.348271 0.645050 0.467309 Tb\n0.931185 0.047039 0.590691 Mo\n0.068815 0.952961 0.409309 Mo\n0.952961 0.068815 0.909309 Mo\n0.047039 0.931185 0.090691 Mo\n0.242869 0.764373 0.648967 Mo\n0.757131 0.235627 0.351033 Mo\n0.235627 0.757131 0.851033 Mo\n0.764373 0.242869 0.148967 Mo\n0.675706 0.018992 0.545266 O\n0.324294 0.981008 0.454734 O\n0.981008 0.324294 0.954734 O\n0.018992 0.675706 0.045266 O\n0.421901 0.904763 0.933333 O\n0.578099 0.095237 0.066667 O\n0.095237 0.578099 0.566667 O\n0.904763 0.421901 0.433333 O\n0.800955 0.964540 0.830027 O\n0.199045 0.035460 0.169973 O\n0.035460 0.199045 0.669973 O\n0.964540 0.800955 0.330027 O\n0.719440 0.814460 0.102668 O\n0.280560 0.185540 0.897332 O\n0.185540 0.280560 0.397332 O\n0.814460 0.719440 0.602668 O\n0.412259 0.116732 0.633902 O\n0.587741 0.883268 0.366098 O\n0.883268 0.587741 0.866098 O\n0.116732 0.412259 0.133902 O\n0.725851 0.758439 0.965032 O\n0.274149 0.241561 0.034968 O\n0.241561 0.274149 0.534968 O\n0.758439 0.725851 0.465032 O\n0.486198 0.763427 0.674500 O\n0.513802 0.236573 0.325500 O\n0.236573 0.513802 0.825500 O\n0.763427 0.486198 0.174500 O\n0.403784 0.014909 0.787834 O\n0.596216 0.985091 0.212166 O\n0.985091 0.596216 0.712166 O\n0.014909 0.403784 0.287834 O\n",
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"elements": [
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"Tb",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O-Tb",
"density": 5.463463376191641,
"density_atomic": 0.06911322729754803,
"volume": 665.5744753744407,
"volume_molar": 8.713441689060947,
"formula_full": "Ba2 Tb4 Mo8 O32",
"formula_reduced": "BaTb2(MoO4)4",
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"energy": -388.62421832,
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"updated_at": "2021-11-28T01:34:27.756000Z",
"spacegroup": 15
},
{
"id": "mp-1200510",
"created_at": "2022-09-04T14:39:12.171591Z",
"structure_string": "Na2 Al12 Sb14 Te16 Cl48\n1.0\n12.670084 0.000000 0.000000\n-3.565850 12.599484 0.000000\n-0.066550 -0.898702 18.867102\nNa Al Sb Te Cl\n2 12 14 16 48\ndirect\n0.677509 0.250166 0.285547 Na\n0.322491 0.749834 0.714453 Na\n0.801763 0.691089 0.889606 Al\n0.198237 0.308911 0.110394 Al\n0.720751 0.988550 0.146222 Al\n0.279249 0.011450 0.853778 Al\n0.658551 0.394643 0.084265 Al\n0.341449 0.605357 0.915735 Al\n0.301207 0.180822 0.399449 Al\n0.698793 0.819178 0.600551 Al\n0.213688 0.461808 0.636914 Al\n0.786312 0.538192 0.363086 Al\n0.170116 0.871787 0.593692 Al\n0.829884 0.128213 0.406308 Al\n0.755930 0.258088 0.756665 Sb\n0.244070 0.741912 0.243335 Sb\n0.857564 0.998093 0.799172 Sb\n0.142436 0.001907 0.200828 Sb\n0.635635 0.503540 0.705809 Sb\n0.364365 0.496460 0.294191 Sb\n0.784541 0.192762 0.965217 Sb\n0.215459 0.807238 0.034783 Sb\n0.737464 0.317037 0.549243 Sb\n0.262536 0.682963 0.450757 Sb\n0.063106 0.300505 0.847444 Sb\n0.936894 0.699495 0.152556 Sb\n0.450262 0.192869 0.658977 Sb\n0.549738 0.807131 0.341023 Sb\n0.879345 0.380776 0.887789 Te\n0.120655 0.619224 0.112211 Te\n0.647585 0.126946 0.624613 Te\n0.352415 0.873054 0.375387 Te\n0.959907 0.185044 0.719394 Te\n0.040093 0.814956 0.280606 Te\n0.539857 0.316713 0.786119 Te\n0.460143 0.683287 0.213881 Te\n0.666423 0.063169 0.844075 Te\n0.333577 0.936831 0.155925 Te\n0.839659 0.457417 0.669977 Te\n0.160341 0.542583 0.330023 Te\n0.974727 0.109568 0.924856 Te\n0.025273 0.890432 0.075144 Te\n0.533529 0.379988 0.578189 Te\n0.466471 0.620012 0.421811 Te\n0.766877 0.838307 0.924941 Cl\n0.233123 0.161693 0.075059 Cl\n0.864567 0.706895 0.783683 Cl\n0.135433 0.293105 0.216317 Cl\n0.920356 0.662825 0.964231 Cl\n0.079644 0.337175 0.035769 Cl\n0.657614 0.557494 0.884997 Cl\n0.342386 0.442506 0.115003 Cl\n0.625057 0.029597 0.233798 Cl\n0.374943 0.970403 0.766202 Cl\n0.875802 0.104175 0.134972 Cl\n0.124198 0.895825 0.865028 Cl\n0.744901 0.836171 0.170492 Cl\n0.255099 0.163829 0.829508 Cl\n0.623320 0.980359 0.051272 Cl\n0.376680 0.019641 0.948728 Cl\n0.829517 0.393905 0.089234 Cl\n0.170483 0.606095 0.910766 Cl\n0.596626 0.299765 0.986335 Cl\n0.403374 0.700235 0.013665 Cl\n0.646214 0.553476 0.085575 Cl\n0.353786 0.446524 0.914425 Cl\n0.569596 0.310211 0.171371 Cl\n0.430404 0.689789 0.828629 Cl\n0.294471 0.342308 0.425383 Cl\n0.705529 0.657692 0.574617 Cl\n0.389757 0.175637 0.302006 Cl\n0.610243 0.824363 0.697994 Cl\n0.389545 0.133221 0.484862 Cl\n0.610455 0.866779 0.515138 Cl\n0.139847 0.074939 0.384162 Cl\n0.860153 0.925061 0.615838 Cl\n0.140882 0.500270 0.734879 Cl\n0.859118 0.499730 0.265121 Cl\n0.366571 0.584639 0.622343 Cl\n0.633429 0.415361 0.377657 Cl\n0.248107 0.311128 0.649614 Cl\n0.751893 0.688872 0.350386 Cl\n0.105309 0.460026 0.549340 Cl\n0.894691 0.539974 0.450660 Cl\n0.343106 0.873675 0.582429 Cl\n0.656894 0.126325 0.417571 Cl\n0.095277 0.821429 0.489428 Cl\n0.904723 0.178571 0.510572 Cl\n0.157669 0.023422 0.631165 Cl\n0.842331 0.976578 0.368835 Cl\n0.107070 0.748987 0.667296 Cl\n0.892930 0.251013 0.332704 Cl\n",
"nsites": 92,
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"elements": [
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"Al",
"Sb",
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],
"chemical_system": "Al-Cl-Na-Sb-Te",
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"density_atomic": 0.030545720704534388,
"volume": 3011.8785177768937,
"volume_molar": 19.715169984861536,
"formula_full": "Na2 Al12 Sb14 Te16 Cl48",
"formula_reduced": "NaAl6Sb7(TeCl3)8",
"formula_anonymous": "AB6C7D8E24",
"energy": -377.24671861,
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"updated_at": "2021-11-28T01:34:37.887000Z",
"spacegroup": 2
},
{
"id": "mp-757800",
"created_at": "2022-09-04T14:43:14.610734Z",
"structure_string": "Li9 Cu9 C9 O27\n1.0\n3.051342 0.000000 0.000000\n0.170419 14.370154 0.000000\n0.111387 7.177170 12.453168\nLi Cu C O\n9 9 9 27\ndirect\n0.511966 0.881354 0.905523 Li\n0.482442 0.564244 0.882629 Li\n0.556130 0.881704 0.553538 Li\n0.510916 0.213024 0.882055 Li\n0.454973 0.553673 0.565180 Li\n0.503319 0.254172 0.543854 Li\n0.490839 0.905693 0.213047 Li\n0.488343 0.543690 0.202465 Li\n0.503720 0.201892 0.254914 Li\n0.064883 0.791221 0.767539 Cu\n0.010283 0.441302 0.792379 Cu\n0.019227 0.115672 0.770425 Cu\n0.939741 0.767566 0.441798 Cu\n0.967361 0.464281 0.433328 Cu\n0.038511 0.102807 0.464696 Cu\n0.984592 0.770313 0.114673 Cu\n0.980450 0.432495 0.103753 Cu\n0.005227 0.113942 0.116000 Cu\n0.001329 0.663368 0.991982 C\n0.997647 0.666728 0.667157 C\n0.989925 0.344875 0.664153 C\n0.009562 0.991573 0.345209 C\n0.527031 0.012110 0.667399 C\n0.467594 0.667050 0.321238 C\n0.997500 0.333054 0.333992 C\n0.003585 0.999858 0.000295 C\n0.505208 0.320279 0.013150 C\n0.001362 0.919321 0.982802 O\n0.979530 0.584029 0.972640 O\n0.060572 0.761851 0.913282 O\n0.557569 0.922300 0.667088 O\n0.503539 0.410468 0.923212 O\n0.007515 0.588500 0.766429 O\n0.052007 0.765268 0.645148 O\n0.017511 0.097662 0.919496 O\n0.043968 0.972033 0.443637 O\n0.041766 0.324431 0.763126 O\n0.937519 0.646542 0.589513 O\n0.936551 0.913246 0.325448 O\n0.967187 0.265244 0.645780 O\n0.966586 0.443786 0.584939 O\n0.510871 0.011918 0.758607 O\n0.450706 0.667184 0.411233 O\n0.474003 0.576089 0.320874 O\n0.515587 0.103255 0.576419 O\n0.996568 0.982451 0.098526 O\n0.475890 0.758325 0.230336 O\n0.002352 0.325796 0.427954 O\n0.001133 0.246351 0.326602 O\n0.989481 0.427166 0.247421 O\n0.966357 0.645013 0.089923 O\n0.044917 0.089313 0.265725 O\n0.497581 0.320189 0.104248 O\n0.514887 0.229237 0.012748 O\n",
"nsites": 54,
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"elements": [
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],
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"density": 3.5715465723438315,
"density_atomic": 0.09889210096401299,
"volume": 546.0496791311036,
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"formula_full": "Li9 Cu9 C9 O27",
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},
{
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"W",
"O"
],
"chemical_system": "K-O-P-W",
"density": 3.7382660271335846,
"density_atomic": 0.06543007669397047,
"volume": 733.6075765967016,
"volume_molar": 9.203933518474622,
"formula_full": "K4 P8 W4 O32",
"formula_reduced": "KP2WO8",
"formula_anonymous": "ABC2D8",
"energy": -380.67839364,
"energy_per_atom": -7.9307998675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -340.94239364,
"band_gap": 0.5784000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9985522,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:29.502000Z",
"spacegroup": 14
}
]
}