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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=10224",
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"results": [
{
"id": "mp-772241",
"created_at": "2022-09-04T14:39:20.584405Z",
"structure_string": "Li12 Mn4 Al8 O24\n1.0\n-5.893852 -5.133420 1.216033\n5.958176 -5.192419 1.193019\n-0.010724 5.527085 6.616887\nLi Mn Al O\n12 4 8 24\ndirect\n0.455887 0.621868 0.917054 Li\n0.955898 0.121876 0.917060 Li\n0.044104 0.878125 0.082942 Li\n0.544114 0.378130 0.082947 Li\n0.949920 0.290159 0.243332 Li\n0.449910 0.790163 0.243332 Li\n0.550091 0.209840 0.756670 Li\n0.050079 0.709838 0.756670 Li\n0.289202 0.635147 0.597478 Li\n0.789211 0.135147 0.597475 Li\n0.210788 0.864853 0.402522 Li\n0.710799 0.364850 0.402525 Li\n0.294854 0.465535 0.257899 Mn\n0.705153 0.534476 0.742116 Mn\n0.794819 0.965536 0.257872 Mn\n0.205166 0.034457 0.742105 Mn\n0.621601 0.797065 0.581454 Al\n0.121597 0.297058 0.581460 Al\n0.878403 0.702940 0.418537 Al\n0.378406 0.202938 0.418545 Al\n0.624539 0.957633 0.912940 Al\n0.124540 0.457631 0.912949 Al\n0.875463 0.542369 0.087052 Al\n0.375457 0.042371 0.087057 Al\n0.227652 0.364277 0.421461 O\n0.727639 0.864270 0.421451 O\n0.272355 0.135726 0.578545 O\n0.772350 0.635726 0.578542 O\n0.554242 0.725850 0.757920 O\n0.054250 0.225849 0.757924 O\n0.945750 0.774151 0.242078 O\n0.445756 0.274150 0.242080 O\n0.349537 0.530382 0.080444 O\n0.849523 0.030372 0.080431 O\n0.150471 0.969624 0.919565 O\n0.650466 0.469622 0.919561 O\n0.395545 0.711899 0.426784 O\n0.895549 0.211883 0.426774 O\n0.104452 0.788110 0.573223 O\n0.604459 0.288108 0.573225 O\n0.696849 0.018994 0.745480 O\n0.196844 0.518998 0.745480 O\n0.803156 0.481001 0.254520 O\n0.303151 0.981005 0.254519 O\n0.035424 0.390955 0.079734 O\n0.535407 0.890945 0.079720 O\n0.464588 0.109051 0.920276 O\n0.964579 0.609046 0.920270 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.099018615613042,
"density_atomic": 0.09921681633003866,
"volume": 483.78895610126153,
"volume_molar": 6.069677482865119,
"formula_full": "Li12 Mn4 Al8 O24",
"formula_reduced": "Li3MnAl2O6",
"formula_anonymous": "AB2C3D6",
"energy": -339.34727273000004,
"energy_per_atom": -7.069734848541668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -316.18727273,
"band_gap": 1.4500000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.521000Z",
"spacegroup": 2
},
{
"id": "mp-1181630",
"created_at": "2022-09-04T14:42:15.819240Z",
"structure_string": "Er34 Te6 Ru12\n1.0\n1.997321 20.216540 0.000000\n-1.997321 20.216540 0.000000\n0.000000 1.475900 16.128864\nEr Te Ru\n34 6 12\ndirect\n0.730231 0.730231 0.070322 Er\n0.355862 0.355862 0.921701 Er\n0.731553 0.731553 0.584519 Er\n0.866261 0.866261 0.096632 Er\n0.815419 0.815419 0.780781 Er\n0.869153 0.869153 0.597383 Er\n0.184581 0.184581 0.219219 Er\n0.472581 0.472581 0.836083 Er\n0.558467 0.558467 0.889430 Er\n0.130847 0.130847 0.402617 Er\n0.558660 0.558660 0.388095 Er\n0.906591 0.906591 0.771110 Er\n0.527419 0.527419 0.163917 Er\n0.090047 0.090047 0.732473 Er\n0.361267 0.361267 0.422352 Er\n0.638733 0.638733 0.577648 Er\n0.644138 0.644138 0.078299 Er\n0.474655 0.474655 0.333559 Er\n0.695890 0.695890 0.399863 Er\n0.441533 0.441533 0.110570 Er\n0.701881 0.701881 0.876002 Er\n0.298119 0.298119 0.123998 Er\n0.176356 0.176356 0.708321 Er\n0.525345 0.525345 0.666441 Er\n0.000000 0.000000 0.000000 Er\n0.093409 0.093409 0.228890 Er\n0.823644 0.823644 0.291679 Er\n0.133739 0.133739 0.903368 Er\n0.909953 0.909953 0.267527 Er\n0.441340 0.441340 0.611905 Er\n0.269769 0.269769 0.929678 Er\n0.304110 0.304110 0.600137 Er\n0.000000 0.000000 0.500000 Er\n0.268447 0.268447 0.415481 Er\n0.750071 0.750071 0.252671 Te\n0.074024 0.074024 0.546134 Te\n0.249929 0.249929 0.747329 Te\n0.076097 0.076097 0.044831 Te\n0.925976 0.925976 0.453866 Te\n0.923903 0.923903 0.955169 Te\n0.976502 0.976502 0.188523 Ru\n0.361560 0.361560 0.722986 Ru\n0.025492 0.025492 0.308195 Ru\n0.638440 0.638440 0.277014 Ru\n0.191326 0.191326 0.006439 Ru\n0.808674 0.808674 0.993561 Ru\n0.634880 0.634880 0.778984 Ru\n0.188245 0.188245 0.521747 Ru\n0.023498 0.023498 0.811477 Ru\n0.811755 0.811755 0.478253 Ru\n0.365120 0.365120 0.221016 Ru\n0.974508 0.974508 0.691805 Ru\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Er",
"Te",
"Ru"
],
"chemical_system": "Er-Ru-Te",
"density": 9.772073422994227,
"density_atomic": 0.03992223717170309,
"volume": 1302.5322147241197,
"volume_molar": 15.084677579813834,
"formula_full": "Er34 Te6 Ru12",
"formula_reduced": "Er17(TeRu2)3",
"formula_anonymous": "A3B6C17",
"energy": -316.2012018,
"energy_per_atom": -6.080792342307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -316.2012018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.062781,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.442000Z",
"spacegroup": 12
},
{
"id": "mp-555534",
"created_at": "2022-09-04T14:39:59.651280Z",
"structure_string": "K8 Mn2 Mo8 O30\n1.0\n5.284295 -9.152668 0.000000\n5.284295 9.152668 0.000000\n0.000000 0.000000 8.356870\nK Mn Mo O\n8 2 8 30\ndirect\n0.911735 0.606907 0.140310 K\n0.393093 0.304828 0.140310 K\n0.088265 0.393093 0.859690 K\n0.606907 0.695172 0.859690 K\n0.000000 0.000000 0.000000 K\n0.304828 0.911735 0.859690 K\n0.695172 0.088265 0.140310 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.466585 Mn\n0.333333 0.666667 0.533415 Mn\n0.017118 0.342016 0.360216 Mo\n0.675102 0.017118 0.639784 Mo\n0.333333 0.666667 0.142209 Mo\n0.657984 0.675102 0.360216 Mo\n0.666667 0.333333 0.857791 Mo\n0.342016 0.324898 0.639784 Mo\n0.324898 0.982882 0.360216 Mo\n0.982882 0.657984 0.639784 Mo\n0.479864 0.822497 0.049631 O\n0.218359 0.211107 0.791271 O\n0.520136 0.177503 0.950369 O\n0.665709 0.186500 0.662268 O\n0.186500 0.520791 0.337732 O\n0.275219 0.258445 0.446378 O\n0.494070 0.857345 0.660430 O\n0.781641 0.788893 0.208729 O\n0.505930 0.142655 0.339570 O\n0.813500 0.479209 0.662268 O\n0.983226 0.724781 0.446378 O\n0.479209 0.665709 0.337732 O\n0.857345 0.363275 0.339570 O\n0.657367 0.479864 0.950369 O\n0.342633 0.520136 0.049631 O\n0.177503 0.657367 0.049631 O\n0.363275 0.505930 0.660430 O\n0.636725 0.494070 0.339570 O\n0.016774 0.275219 0.553622 O\n0.211107 0.992748 0.208729 O\n0.142655 0.636725 0.660430 O\n0.258445 0.983226 0.553622 O\n0.007252 0.218359 0.208729 O\n0.788893 0.007252 0.791271 O\n0.822497 0.342633 0.950369 O\n0.520791 0.334291 0.662268 O\n0.741555 0.016774 0.446378 O\n0.724781 0.741555 0.553622 O\n0.334291 0.813500 0.337732 O\n0.992748 0.781641 0.791271 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"K",
"Mn",
"Mo",
"O"
],
"chemical_system": "K-Mn-Mo-O",
"density": 3.430835834411774,
"density_atomic": 0.0593789934827406,
"volume": 808.3666829743742,
"volume_molar": 10.141870730345785,
"formula_full": "K8 Mn2 Mo8 O30",
"formula_reduced": "K4MnMo4O15",
"formula_anonymous": "AB4C4D15",
"energy": -365.782261,
"energy_per_atom": -7.620463770833333,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -316.220261,
"band_gap": 2.9808,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0063677,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.231000Z",
"spacegroup": 147
},
{
"id": "mp-1213060",
"created_at": "2022-09-04T14:42:55.457769Z",
"structure_string": "Dy4 Al4 Ge8 O28\n1.0\n6.538476 0.000000 0.000000\n0.000000 7.224430 0.000000\n0.000000 5.913619 11.229141\nDy Al Ge O\n4 4 8 28\ndirect\n0.355074 0.743285 0.528812 Dy\n0.644926 0.256715 0.471188 Dy\n0.855074 0.256715 0.971188 Dy\n0.144926 0.743285 0.028812 Dy\n0.398899 0.709948 0.272008 Al\n0.601101 0.290052 0.727992 Al\n0.898899 0.290052 0.227992 Al\n0.101101 0.709948 0.772008 Al\n0.656472 0.713718 0.046600 Ge\n0.343528 0.286282 0.953400 Ge\n0.156472 0.286282 0.453400 Ge\n0.843528 0.713718 0.546600 Ge\n0.910057 0.803492 0.277343 Ge\n0.089943 0.196508 0.722657 Ge\n0.410057 0.196508 0.222657 Ge\n0.589943 0.803492 0.777343 Ge\n0.377996 0.922727 0.308888 O\n0.622004 0.077273 0.691112 O\n0.877996 0.077273 0.191112 O\n0.122004 0.922727 0.808888 O\n0.828693 0.911296 0.022221 O\n0.171307 0.088704 0.977779 O\n0.328693 0.088704 0.477779 O\n0.671307 0.911296 0.522221 O\n0.616712 0.279353 0.279468 O\n0.383288 0.720647 0.720532 O\n0.116712 0.720647 0.220532 O\n0.883288 0.279353 0.779468 O\n0.004445 0.751036 0.424300 O\n0.995555 0.248964 0.575700 O\n0.504445 0.248964 0.075700 O\n0.495555 0.751036 0.924300 O\n0.443534 0.708271 0.132372 O\n0.556466 0.291729 0.867628 O\n0.943534 0.291729 0.367628 O\n0.056466 0.708271 0.632372 O\n0.845893 0.512600 0.081616 O\n0.154107 0.487400 0.918384 O\n0.345893 0.487400 0.418384 O\n0.654107 0.512600 0.581616 O\n0.682843 0.655633 0.312669 O\n0.317157 0.344367 0.687331 O\n0.182843 0.344367 0.187331 O\n0.817157 0.655633 0.812669 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Dy",
"Al",
"Ge",
"O"
],
"chemical_system": "Al-Dy-Ge-O",
"density": 5.594407885836411,
"density_atomic": 0.08295183927372397,
"volume": 530.4282627755736,
"volume_molar": 7.259803776174483,
"formula_full": "Dy4 Al4 Ge8 O28",
"formula_reduced": "DyAlGe2O7",
"formula_anonymous": "ABC2D7",
"energy": -335.45982159,
"energy_per_atom": -7.624086854318182,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:55.526000Z",
"spacegroup": 14
},
{
"id": "mp-773021",
"created_at": "2022-09-04T14:47:55.816095Z",
"structure_string": "Li2 V12 O29\n1.0\n1.838477 14.162166 0.000000\n-1.838477 14.162166 0.000000\n0.000000 2.117346 10.157225\nLi V O\n2 12 29\ndirect\n0.750687 0.750687 0.598324 Li\n0.249313 0.249313 0.401676 Li\n0.937743 0.937743 0.090431 V\n0.851606 0.851606 0.356924 V\n0.823372 0.823372 0.032818 V\n0.696200 0.696200 0.201657 V\n0.607509 0.607509 0.458600 V\n0.585258 0.585258 0.138337 V\n0.414742 0.414742 0.861663 V\n0.392491 0.392491 0.541400 V\n0.303800 0.303800 0.798343 V\n0.176628 0.176628 0.967182 V\n0.148394 0.148394 0.643076 V\n0.062257 0.062257 0.909569 V\n0.940725 0.940725 0.245272 O\n0.901207 0.901207 0.910913 O\n0.876111 0.876111 0.524496 O\n0.859202 0.859202 0.161513 O\n0.806351 0.806351 0.856365 O\n0.790908 0.790908 0.408995 O\n0.767121 0.767121 0.125920 O\n0.703636 0.703636 0.357490 O\n0.629711 0.629711 0.626953 O\n0.667598 0.667598 0.014448 O\n0.621876 0.621876 0.270597 O\n0.571557 0.571557 0.953445 O\n0.550160 0.550160 0.489969 O\n0.531461 0.531461 0.222817 O\n0.468539 0.468539 0.777183 O\n0.000000 0.000000 0.000000 O\n0.449840 0.449840 0.510031 O\n0.428443 0.428443 0.046555 O\n0.378124 0.378124 0.729403 O\n0.332402 0.332402 0.985552 O\n0.370289 0.370289 0.373047 O\n0.296364 0.296364 0.642510 O\n0.232879 0.232879 0.874080 O\n0.209092 0.209092 0.591005 O\n0.193649 0.193649 0.143635 O\n0.140798 0.140798 0.838487 O\n0.123889 0.123889 0.475504 O\n0.098793 0.098793 0.089087 O\n0.059275 0.059275 0.754728 O\n",
"nsites": 43,
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"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.4193918103042833,
"density_atomic": 0.08129718450683773,
"volume": 528.9236061598587,
"volume_molar": 7.407563738561562,
"formula_full": "Li2 V12 O29",
"formula_reduced": "Li2V12O29",
"formula_anonymous": "A2B12C29",
"energy": -356.56414272,
"energy_per_atom": -8.292189365581395,
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"updated_at": "2021-11-28T01:38:17.086000Z",
"spacegroup": 12
},
{
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{
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}
]
}