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{
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"results": [
{
"id": "mp-1184286",
"created_at": "2022-09-04T14:43:52.682503Z",
"structure_string": "Eu2 Tl1 Sn1\n1.0\n0.000000 3.977147 3.977147\n3.977147 0.000000 3.977147\n3.977147 3.977147 0.000000\nEu Tl Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Eu\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Sn\n",
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"formula_full": "Eu2 Tl1 Sn1",
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{
"id": "mp-758774",
"created_at": "2022-09-04T14:43:52.519877Z",
"structure_string": "Li4 Fe7 P6 O24\n1.0\n7.056265 5.584323 0.000000\n-7.056265 5.584323 0.000000\n0.000000 1.651324 6.300989\nLi Fe P O\n4 7 6 24\ndirect\n0.759592 0.759592 0.464076 Li\n0.573198 0.338301 0.527030 Li\n0.338301 0.573198 0.527030 Li\n0.064902 0.064902 0.553425 Li\n0.991217 0.357375 0.181172 Fe\n0.357375 0.991217 0.181172 Fe\n0.639726 0.353088 0.015497 Fe\n0.353088 0.639726 0.015497 Fe\n0.993681 0.993681 0.009993 Fe\n0.642623 0.005477 0.809713 Fe\n0.005477 0.642623 0.809713 Fe\n0.282511 0.897151 0.709361 P\n0.897151 0.282511 0.709361 P\n0.673649 0.673649 0.072602 P\n0.311586 0.311586 0.917180 P\n0.711440 0.085743 0.293498 P\n0.085743 0.711440 0.293498 P\n0.582585 0.759918 0.926792 O\n0.759918 0.582585 0.926792 O\n0.792174 0.792174 0.152725 O\n0.956600 0.383403 0.868131 O\n0.383403 0.956600 0.868131 O\n0.894397 0.104580 0.768825 O\n0.104580 0.894397 0.768825 O\n0.718897 0.278404 0.727970 O\n0.278404 0.718897 0.727970 O\n0.554248 0.554248 0.254614 O\n0.419624 0.419624 0.714431 O\n0.111865 0.891346 0.218356 O\n0.891346 0.111865 0.218356 O\n0.252645 0.689146 0.306614 O\n0.689146 0.252645 0.306614 O\n0.665300 0.965376 0.505590 O\n0.965376 0.665300 0.505590 O\n0.185081 0.185081 0.869065 O\n0.614044 0.028018 0.130072 O\n0.028018 0.614044 0.130072 O\n0.414238 0.235297 0.055404 O\n0.235297 0.414238 0.055404 O\n0.345444 0.001103 0.489084 O\n0.001103 0.345444 0.489084 O\n",
"nsites": 41,
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"elements": [
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"P",
"O"
],
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"density": 3.3055580805226183,
"density_atomic": 0.08256571135771362,
"volume": 496.57417499097966,
"volume_molar": 7.29375507213793,
"formula_full": "Li4 Fe7 P6 O24",
"formula_reduced": "Li4Fe7(PO4)6",
"formula_anonymous": "A4B6C7D24",
"energy": -315.1317133,
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"updated_at": "2021-11-28T01:36:19.840000Z",
"spacegroup": 8
},
{
"id": "mp-1189309",
"created_at": "2022-09-04T14:43:52.530793Z",
"structure_string": "Eu2 B8 Os8\n1.0\n7.586638 0.000000 0.000000\n0.000000 7.586638 0.000000\n0.000000 0.000000 4.035606\nEu B Os\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.666489 0.787386 0.113232 B\n0.333511 0.212614 0.113232 B\n0.287386 0.833511 0.613232 B\n0.712614 0.166489 0.613232 B\n0.833511 0.712614 0.386768 B\n0.166489 0.287386 0.386768 B\n0.212614 0.666489 0.886768 B\n0.787386 0.333511 0.886768 B\n0.144261 0.390521 0.884935 Os\n0.855739 0.609479 0.884935 Os\n0.890521 0.355739 0.384935 Os\n0.109479 0.644261 0.384935 Os\n0.355739 0.109479 0.615065 Os\n0.644261 0.890521 0.615065 Os\n0.609479 0.144261 0.115065 Os\n0.390521 0.855739 0.115065 Os\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "B-Eu-Os",
"density": 13.670602222249485,
"density_atomic": 0.07749345463821253,
"volume": 232.27768182532517,
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"formula_full": "Eu2 B8 Os8",
"formula_reduced": "Eu(BOs)4",
"formula_anonymous": "AB4C4",
"energy": -169.36033782,
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"energy_uncorrected": -169.36033782,
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"updated_at": "2021-11-28T01:36:21.669000Z",
"spacegroup": 86
},
{
"id": "mp-2749",
"created_at": "2022-09-04T14:43:52.553466Z",
"structure_string": "Ti2 Be4\n1.0\n0.000000 3.214763 3.214763\n3.214763 0.000000 3.214763\n3.214763 3.214763 0.000000\nTi Be\n2 4\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Ti\n0.625000 0.625000 0.125000 Be\n0.625000 0.125000 0.625000 Be\n0.125000 0.625000 0.625000 Be\n0.625000 0.625000 0.625000 Be\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Be-Ti",
"density": 3.293295583039766,
"density_atomic": 0.0902972181857041,
"volume": 66.44722972152339,
"volume_molar": 6.66924284158449,
"formula_full": "Ti2 Be4",
"formula_reduced": "TiBe2",
"formula_anonymous": "AB2",
"energy": -31.91133155,
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"energy_uncorrected": -31.91133155,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:27.472000Z",
"spacegroup": 227
},
{
"id": "mp-765675",
"created_at": "2022-09-04T14:43:52.557343Z",
"structure_string": "Na4 Ni6 O10\n1.0\n-4.448181 -2.635340 0.044146\n-0.006063 3.437112 5.057373\n-1.444444 4.414241 -5.134790\nNa Ni O\n4 6 10\ndirect\n0.800538 0.099180 0.605405 Na\n0.599462 0.700820 0.194595 Na\n0.406707 0.303201 0.806137 Na\n0.993293 0.496799 0.993863 Na\n0.800525 0.602388 0.593497 Ni\n0.599475 0.197612 0.206503 Ni\n0.402784 0.800374 0.793731 Ni\n0.200000 0.400000 0.400000 Ni\n0.200000 0.900000 0.400000 Ni\n0.997216 0.999626 0.006269 Ni\n0.934282 0.084786 0.308984 O\n0.922783 0.533017 0.319012 O\n0.694070 0.108736 0.919618 O\n0.705930 0.691264 0.880382 O\n0.477217 0.266983 0.480988 O\n0.465718 0.715214 0.491016 O\n0.270923 0.318256 0.127982 O\n0.276589 0.875306 0.100586 O\n0.129077 0.481744 0.672018 O\n0.123411 0.924694 0.699414 O\n",
"nsites": 20,
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"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 5.0828649481962564,
"density_atomic": 0.10133767694974224,
"volume": 197.35996128980605,
"volume_molar": 5.942647336376817,
"formula_full": "Na4 Ni6 O10",
"formula_reduced": "Na2Ni3O5",
"formula_anonymous": "A2B3C5",
"energy": -115.18743983,
"energy_per_atom": -5.7593719915,
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"energy_uncorrected": -93.07143983,
"band_gap": 0.1616999999999997,
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"updated_at": "2021-11-28T01:36:23.954000Z",
"spacegroup": 2
},
{
"id": "mp-8832",
"created_at": "2022-09-04T14:43:52.564222Z",
"structure_string": "Tb1 Cr2 Si2\n1.0\n-1.929046 1.929046 5.353879\n1.929046 -1.929046 5.353879\n1.929046 1.929046 -5.353879\nTb Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.615856 0.615856 0.000000 Si\n0.384144 0.384144 0.000000 Si\n",
"nsites": 5,
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"elements": [
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"Cr",
"Si"
],
"chemical_system": "Cr-Si-Tb",
"density": 6.648851098630113,
"density_atomic": 0.06274170167194695,
"volume": 79.69181368626472,
"volume_molar": 9.598306388767613,
"formula_full": "Tb1 Cr2 Si2",
"formula_reduced": "Tb(CrSi)2",
"formula_anonymous": "AB2C2",
"energy": -36.76491957,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:22.953000Z",
"spacegroup": 139
},
{
"id": "mp-1175323",
"created_at": "2022-09-04T14:43:52.541184Z",
"structure_string": "Li14 Mn10 O24\n1.0\n2.958565 0.071005 -0.385797\n-0.161708 9.745879 2.988092\n2.708614 0.145571 14.971492\nLi Mn O\n14 10 24\ndirect\n0.999999 0.000001 0.333317 Li\n0.499998 0.000004 0.833332 Li\n0.490202 0.241393 0.328322 Li\n0.990179 0.241378 0.828323 Li\n0.509787 0.758593 0.338340 Li\n0.009829 0.758625 0.838346 Li\n0.998053 0.746329 0.167455 Li\n0.498040 0.746322 0.667460 Li\n0.001942 0.253654 0.499223 Li\n0.501951 0.253677 0.999214 Li\n0.010043 0.242412 0.172642 Li\n0.510046 0.242387 0.672651 Li\n0.989953 0.757574 0.494025 Li\n0.489953 0.757617 0.994016 Li\n0.000143 0.500073 0.333296 Mn\n0.008805 0.996242 0.996374 Mn\n0.991053 0.003750 0.670297 Mn\n0.001423 0.501566 0.999979 Mn\n0.998609 0.498431 0.666686 Mn\n0.499995 0.500024 0.833296 Mn\n0.508794 0.996234 0.496355 Mn\n0.491020 0.003748 0.170334 Mn\n0.501391 0.501550 0.499980 Mn\n0.498567 0.498418 0.166690 Mn\n0.034743 0.107575 0.431381 O\n0.534718 0.107616 0.931407 O\n0.965280 0.892392 0.235275 O\n0.465296 0.892391 0.735254 O\n0.460995 0.617873 0.247044 O\n0.961001 0.617869 0.747038 O\n0.539061 0.382149 0.419625 O\n0.039069 0.382154 0.919626 O\n0.014674 0.105130 0.090510 O\n0.514694 0.105108 0.590475 O\n0.485324 0.894875 0.076193 O\n0.985349 0.894847 0.576159 O\n0.491109 0.117536 0.242487 O\n0.991096 0.117517 0.742465 O\n0.508919 0.882464 0.424180 O\n0.008915 0.882496 0.924197 O\n0.961583 0.616658 0.082383 O\n0.461588 0.616661 0.582374 O\n0.538393 0.383362 0.084320 O\n0.038402 0.383362 0.584314 O\n0.963682 0.619938 0.412953 O\n0.463671 0.619945 0.912956 O\n0.036325 0.380042 0.253714 O\n0.536341 0.380038 0.753710 O\n",
"nsites": 48,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.877416398710023,
"density_atomic": 0.10876012752917308,
"volume": 441.33820997152475,
"volume_molar": 5.537085048364495,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.25525311,
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"updated_at": "2021-11-28T01:36:21.829000Z",
"spacegroup": 2
},
{
"id": "mp-849269",
"created_at": "2022-09-04T14:43:52.572871Z",
"structure_string": "Li3 Mn4 B4 O12\n1.0\n-5.217558 0.000000 0.000000\n2.246148 5.446529 0.000000\n-0.018441 -2.349964 -8.863093\nLi Mn B O\n3 4 4 12\ndirect\n0.753482 0.680374 0.685510 Li\n0.253323 0.348053 0.311136 Li\n0.742655 0.315103 0.805314 Li\n0.785689 0.763761 0.372847 Mn\n0.279931 0.754586 0.889770 Mn\n0.732266 0.251288 0.116736 Mn\n0.219277 0.243073 0.622036 Mn\n0.766947 0.735445 0.034708 B\n0.275717 0.743116 0.547815 B\n0.730964 0.260516 0.455020 B\n0.223680 0.256419 0.964371 B\n0.601244 0.877560 0.071201 O\n0.057639 0.830219 0.570240 O\n0.377989 0.711401 0.411252 O\n0.815715 0.620710 0.142900 O\n0.375816 0.678982 0.667972 O\n0.119520 0.266600 0.101692 O\n0.857074 0.695459 0.893986 O\n0.624306 0.322663 0.337660 O\n0.121177 0.327198 0.850388 O\n0.640432 0.298169 0.597703 O\n0.948348 0.175632 0.429338 O\n0.445075 0.175158 0.937405 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1369822239462333,
"density_atomic": 0.09131779657529043,
"volume": 251.86766284966998,
"volume_molar": 6.594706602491024,
"formula_full": "Li3 Mn4 B4 O12",
"formula_reduced": "Li3Mn4(BO3)4",
"formula_anonymous": "A3B4C4D12",
"energy": -185.19794179,
"energy_per_atom": -8.052084425652174,
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"energy_uncorrected": -170.28194179,
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"updated_at": "2021-11-28T01:36:21.548000Z",
"spacegroup": 1
},
{
"id": "mp-1176181",
"created_at": "2022-09-04T14:43:52.585695Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.985108 0.000000 0.000000\n-1.326910 4.935871 0.000000\n-1.080551 -0.877493 19.546896\nLi Mn Co O\n9 2 5 16\ndirect\n0.327718 0.570745 0.064597 Li\n0.935117 0.688888 0.188405 Li\n0.562849 0.811227 0.313088 Li\n0.188261 0.937835 0.437619 Li\n0.812876 0.065293 0.561300 Li\n0.444681 0.184449 0.689667 Li\n0.058450 0.302681 0.813419 Li\n0.659611 0.428477 0.930266 Li\n0.393472 0.892654 0.874847 Li\n0.992928 0.001190 0.996975 Mn\n0.121465 0.626763 0.626482 Mn\n0.618695 0.117626 0.125542 Co\n0.252355 0.247118 0.249296 Co\n0.875805 0.375759 0.374413 Co\n0.496952 0.501021 0.499602 Co\n0.766202 0.753169 0.755950 Co\n0.621162 0.243176 0.033012 O\n0.307930 0.383286 0.157138 O\n0.894449 0.514859 0.283144 O\n0.513588 0.640036 0.408525 O\n0.132742 0.764504 0.533714 O\n0.805596 0.887638 0.662817 O\n0.433616 0.004183 0.778593 O\n0.037624 0.160091 0.914319 O\n0.943436 0.864268 0.092716 O\n0.615553 0.986790 0.215551 O\n0.235979 0.109668 0.339853 O\n0.854887 0.234889 0.464626 O\n0.431557 0.354390 0.589659 O\n0.076363 0.488091 0.716964 O\n0.716434 0.599377 0.834316 O\n0.371642 0.759858 0.973587 O\n",
"nsites": 32,
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"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.168565437017835,
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"volume": 288.00607690601925,
"volume_molar": 5.42004104644823,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.81717448,
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"updated_at": "2021-11-28T01:36:21.022000Z",
"spacegroup": 1
},
{
"id": "mp-22204",
"created_at": "2022-09-04T14:43:52.574047Z",
"structure_string": "Co8 P4\n1.0\n3.509531 0.000000 0.000000\n0.000000 5.519077 0.000000\n0.000000 0.000000 6.591204\nCo P\n8 4\ndirect\n0.750000 0.032102 0.667519 Co\n0.250000 0.967898 0.332481 Co\n0.750000 0.532102 0.832481 Co\n0.250000 0.467898 0.167519 Co\n0.250000 0.355569 0.565169 Co\n0.750000 0.644431 0.434831 Co\n0.250000 0.855569 0.934831 Co\n0.750000 0.144431 0.065169 Co\n0.250000 0.748750 0.621352 P\n0.750000 0.251250 0.378648 P\n0.250000 0.248750 0.878648 P\n0.750000 0.751250 0.121352 P\n",
"nsites": 12,
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"elements": [
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"density": 7.743706856846986,
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"volume": 127.66748103650009,
"volume_molar": 6.406929510636952,
"formula_full": "Co8 P4",
"formula_reduced": "Co2P",
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}