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{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12193",
"results": [
{
"id": "mp-1191327",
"created_at": "2022-09-04T14:40:31.208836Z",
"structure_string": "Dy6 Ga2 Ni2 Se14\n1.0\n9.986272 0.000000 0.000000\n-4.993136 8.648365 0.000000\n0.000000 0.000000 6.497852\nDy Ga Ni Se\n6 2 2 14\ndirect\n0.159584 0.374131 0.821793 Dy\n0.214548 0.840416 0.821793 Dy\n0.625869 0.785452 0.821793 Dy\n0.840416 0.625869 0.321793 Dy\n0.785452 0.159584 0.321793 Dy\n0.374131 0.214548 0.321793 Dy\n0.666667 0.333333 0.896399 Ga\n0.333333 0.666667 0.396399 Ga\n0.000000 0.000000 0.496847 Ni\n0.000000 0.000000 0.996847 Ni\n0.438255 0.520031 0.555333 Se\n0.081776 0.561745 0.555333 Se\n0.479969 0.918224 0.555333 Se\n0.561745 0.479969 0.055333 Se\n0.918224 0.438255 0.055333 Se\n0.520031 0.081776 0.055333 Se\n0.666667 0.333333 0.526152 Se\n0.333333 0.666667 0.026152 Se\n0.869290 0.104113 0.731151 Se\n0.234822 0.130710 0.731151 Se\n0.895887 0.765178 0.731151 Se\n0.130710 0.895887 0.231151 Se\n0.765178 0.869290 0.231151 Se\n0.104113 0.234822 0.231151 Se\n",
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"formula_full": "Dy6 Ga2 Ni2 Se14",
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},
{
"id": "mp-1031907",
"created_at": "2022-09-04T14:40:31.212747Z",
"structure_string": "Y1 Mg6 Nb1 O8\n1.0\n8.985162 0.000000 0.000000\n0.000000 4.487323 0.000000\n0.000000 0.000000 4.487323\nY Mg Nb O\n1 6 1 8\ndirect\n0.000000 -0.000000 -0.000000 Y\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.263369 0.000000 0.500000 Mg\n0.736631 -0.000000 0.500000 Mg\n0.263369 0.500000 0.000000 Mg\n0.736631 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Nb\n0.248539 -0.000000 -0.000000 O\n0.751461 0.000000 0.000000 O\n0.249504 0.500000 0.500000 O\n0.750496 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Mg-Nb-O-Y",
"density": 4.181844853844227,
"density_atomic": 0.08843402827562957,
"volume": 180.92583038433452,
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"formula_full": "Y1 Mg6 Nb1 O8",
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"updated_at": "2021-11-28T01:34:48.330000Z",
"spacegroup": 123
},
{
"id": "mp-759769",
"created_at": "2022-09-04T14:40:31.237086Z",
"structure_string": "Li10 Fe5 Co3 O16\n1.0\n2.945814 5.111369 0.000000\n-2.945814 5.111369 0.000000\n0.000000 0.007394 9.728951\nLi Fe Co O\n10 5 3 16\ndirect\n0.383528 0.806384 0.945485 Li\n0.806384 0.383528 0.945485 Li\n0.802854 0.802854 0.946214 Li\n0.669349 0.669349 0.723932 Li\n0.001523 0.001523 0.021582 Li\n0.004415 0.004415 0.514510 Li\n0.194285 0.194285 0.446637 Li\n0.609861 0.186139 0.442878 Li\n0.330480 0.330480 0.223784 Li\n0.186139 0.609861 0.442878 Li\n0.663071 0.663071 0.470693 Fe\n0.335657 0.335657 0.973509 Fe\n0.825281 0.825281 0.216229 Fe\n0.167665 0.665065 0.715778 Fe\n0.665065 0.167665 0.715778 Fe\n0.335245 0.830650 0.211484 Co\n0.171153 0.171153 0.712253 Co\n0.830650 0.335245 0.211484 Co\n0.331842 0.845887 0.592336 O\n0.509735 0.509735 0.328258 O\n0.658270 0.658270 0.101011 O\n0.497258 0.980399 0.332650 O\n0.845887 0.331842 0.592336 O\n0.011355 0.011355 0.827593 O\n0.005708 0.005708 0.318704 O\n0.980399 0.497258 0.332650 O\n0.163779 0.163779 0.100126 O\n0.837559 0.837559 0.583623 O\n0.016320 0.487645 0.834897 O\n0.487645 0.016320 0.834897 O\n0.330070 0.330070 0.592338 O\n0.170373 0.670554 0.094573 O\n0.494583 0.494583 0.838655 O\n0.670554 0.170373 0.094573 O\n",
"nsites": 34,
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"elements": [
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"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.42891986396229,
"density_atomic": 0.11604871844759035,
"volume": 292.9804004285924,
"volume_molar": 5.189321209712199,
"formula_full": "Li10 Fe5 Co3 O16",
"formula_reduced": "Li10Fe5Co3O16",
"formula_anonymous": "A3B5C10D16",
"energy": -220.65307833,
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"updated_at": "2021-11-28T01:34:58.692000Z",
"spacegroup": 8
},
{
"id": "mp-759671",
"created_at": "2022-09-04T14:40:31.244623Z",
"structure_string": "Li8 Co4 Si4 O16\n1.0\n5.088360 0.000000 0.000000\n0.000000 6.311374 0.000000\n0.000000 0.000000 10.778891\nLi Co Si O\n8 4 4 16\ndirect\n0.796522 0.870814 0.574462 Li\n0.191034 0.120528 0.662110 Li\n0.691034 0.620528 0.837890 Li\n0.296522 0.370814 0.925538 Li\n0.703478 0.870814 0.074462 Li\n0.308966 0.120528 0.162110 Li\n0.808966 0.620528 0.337890 Li\n0.203478 0.370814 0.425538 Li\n0.689614 0.117645 0.834301 Co\n0.810386 0.117645 0.334301 Co\n0.189614 0.617645 0.665699 Co\n0.310386 0.617645 0.165699 Co\n0.689308 0.369016 0.587692 Si\n0.189308 0.869016 0.912308 Si\n0.810692 0.369016 0.087692 Si\n0.310692 0.869016 0.412308 Si\n0.197984 0.869268 0.555809 O\n0.363661 0.368242 0.589162 O\n0.792730 0.584168 0.661009 O\n0.797183 0.153658 0.659546 O\n0.297183 0.653658 0.840454 O\n0.292730 0.084168 0.838991 O\n0.863661 0.868242 0.910838 O\n0.697984 0.369268 0.944191 O\n0.302016 0.869268 0.055809 O\n0.136339 0.368242 0.089162 O\n0.707270 0.584168 0.161009 O\n0.702817 0.153658 0.159546 O\n0.202817 0.653658 0.340454 O\n0.207270 0.084168 0.338991 O\n0.636339 0.868242 0.410838 O\n0.802016 0.369268 0.444191 O\n",
"nsites": 32,
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"elements": [
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"Si",
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],
"chemical_system": "Co-Li-O-Si",
"density": 3.1640943661153726,
"density_atomic": 0.09244302571960307,
"volume": 346.1591585833848,
"volume_molar": 6.514434932350953,
"formula_full": "Li8 Co4 Si4 O16",
"formula_reduced": "Li2CoSiO4",
"formula_anonymous": "ABC2D4",
"energy": -224.84461223,
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"updated_at": "2021-11-28T01:35:02.442000Z",
"spacegroup": 33
},
{
"id": "mp-1367439",
"created_at": "2022-09-04T14:40:31.246274Z",
"structure_string": "Mg6 V4 O14\n1.0\n0.000442 5.008035 -1.351043\n-0.000185 -0.204777 9.201037\n5.352520 0.000445 -0.000095\nMg V O\n6 4 14\ndirect\n0.753208 0.000006 0.699435 Mg\n0.246948 0.000076 0.199554 Mg\n0.570260 0.614727 0.816678 Mg\n0.429625 0.385287 0.316608 Mg\n0.955519 0.385293 0.816712 Mg\n0.044354 0.614683 0.316564 Mg\n0.646105 0.790388 0.253396 V\n0.855624 0.209580 0.253429 V\n0.353891 0.209615 0.753416 V\n0.144347 0.790410 0.753399 V\n0.368122 0.999992 0.809541 O\n0.631808 0.000006 0.309660 O\n0.929338 0.589587 0.695525 O\n0.070691 0.410419 0.195533 O\n0.660306 0.589533 0.195445 O\n0.339736 0.410430 0.695613 O\n0.304445 0.738107 0.058470 O\n0.695636 0.261836 0.558576 O\n0.433916 0.738203 0.558526 O\n0.566149 0.261775 0.058570 O\n0.848736 0.842777 0.931330 O\n0.151265 0.157273 0.431357 O\n0.005907 0.157228 0.931363 O\n0.994063 0.842768 0.431306 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.8850965857382804,
"density_atomic": 0.09789583392777679,
"volume": 245.15854288249014,
"volume_molar": 6.151580223978549,
"formula_full": "Mg6 V4 O14",
"formula_reduced": "Mg3V2O7",
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"energy": -181.08402448,
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"spacegroup": 36
},
{
"id": "mp-744002",
"created_at": "2022-09-04T14:40:31.261097Z",
"structure_string": "Co2 H32 C6 N16 O14\n1.0\n5.497708 6.146390 0.000000\n-5.497708 6.146390 0.000000\n0.000000 5.299069 8.923411\nCo H C N O\n2 32 6 16 14\ndirect\n0.922774 0.072964 0.005750 Co\n0.072964 0.922774 0.505750 Co\n0.621673 0.985376 0.002013 H\n0.985376 0.621673 0.502013 H\n0.774317 0.903397 0.888646 H\n0.903397 0.774317 0.388646 H\n0.644266 0.654590 0.109415 H\n0.654590 0.644266 0.609415 H\n0.141054 0.859565 0.893253 H\n0.859565 0.141054 0.393253 H\n0.148134 0.042702 0.744688 H\n0.042702 0.148134 0.244688 H\n0.411436 0.984899 0.825201 H\n0.984899 0.411436 0.325201 H\n0.032442 0.394408 0.779017 H\n0.394408 0.032442 0.279017 H\n0.859861 0.322700 0.765663 H\n0.322700 0.859861 0.265663 H\n0.753846 0.538294 0.870791 H\n0.538294 0.753846 0.370791 H\n0.319043 0.530772 0.075667 H\n0.530772 0.319043 0.575667 H\n0.421739 0.613346 0.891608 H\n0.613346 0.421739 0.391608 H\n0.358027 0.393140 0.979322 H\n0.393140 0.358027 0.479322 H\n0.070727 0.471733 0.025925 H\n0.471733 0.070727 0.525925 H\n0.178323 0.593275 0.850013 H\n0.593275 0.178323 0.350013 H\n0.143644 0.749523 0.178405 H\n0.749523 0.143644 0.678405 H\n0.227288 0.605506 0.283571 H\n0.605506 0.227288 0.783571 H\n0.816527 0.708598 0.190492 C\n0.708598 0.816527 0.690492 C\n0.284600 0.134707 0.952080 C\n0.134707 0.284600 0.452080 C\n0.687813 0.336519 0.074019 C\n0.336519 0.687813 0.574019 C\n0.737632 0.920464 0.989330 N\n0.920464 0.737632 0.489330 N\n0.710446 0.754989 0.108009 N\n0.754989 0.710446 0.608009 N\n0.145351 0.995029 0.853009 N\n0.995029 0.145351 0.353009 N\n0.300873 0.056472 0.851649 N\n0.056472 0.300873 0.351649 N\n0.911765 0.329872 0.840172 N\n0.329872 0.911765 0.340172 N\n0.800324 0.424713 0.926781 N\n0.424713 0.800324 0.426781 N\n0.323498 0.519842 0.978280 N\n0.519842 0.323498 0.478280 N\n0.159265 0.575557 0.958682 N\n0.575557 0.159265 0.458682 N\n0.921734 0.826472 0.173849 O\n0.826472 0.921734 0.673849 O\n0.798724 0.552348 0.285710 O\n0.552348 0.798724 0.785710 O\n0.130987 0.167465 0.030917 O\n0.167465 0.130987 0.530917 O\n0.426579 0.177143 0.956919 O\n0.177143 0.426579 0.456919 O\n0.715334 0.173448 0.139209 O\n0.173448 0.715334 0.639209 O\n0.570351 0.424094 0.135171 O\n0.424094 0.570351 0.635171 O\n0.257558 0.708280 0.187145 O\n0.708280 0.257558 0.687145 O\n",
"nsites": 70,
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"volume": 603.0629879323893,
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"formula_full": "Co2 H32 C6 N16 O14",
"formula_reduced": "CoH16C3N8O7",
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"energy": -432.6767526,
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"spacegroup": 9
},
{
"id": "mp-3349",
"created_at": "2022-09-04T14:40:31.477303Z",
"structure_string": "Sr3 Ti2 O7\n1.0\n-1.970454 1.970454 10.255943\n1.970454 -1.970454 10.255943\n1.970454 1.970454 -10.255943\nSr Ti O\n3 2 7\ndirect\n0.315737 0.315737 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.684263 0.684263 0.000000 Sr\n0.097768 0.097768 0.000000 Ti\n0.902232 0.902232 0.000000 Ti\n0.403661 0.903661 0.500000 O\n0.806192 0.806192 0.000000 O\n0.000000 0.000000 0.000000 O\n0.096339 0.596339 0.500000 O\n0.596339 0.096339 0.500000 O\n0.903661 0.403661 0.500000 O\n0.193808 0.193808 0.000000 O\n",
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],
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"density": 4.905953367063573,
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"volume": 159.28254689285848,
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"formula_full": "Sr3 Ti2 O7",
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}
]
}