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{
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"results": [
{
"id": "mp-1211592",
"created_at": "2022-09-04T14:46:30.610385Z",
"structure_string": "La8 Pt2\n1.0\n-5.762618 -5.762618 0.000000\n-5.762618 0.000000 -5.762618\n0.000000 -5.762618 -5.762618\nLa Pt\n8 2\ndirect\n0.611434 0.611434 0.611434 La\n0.165697 0.611434 0.611434 La\n0.611434 0.165697 0.611434 La\n0.584303 0.138566 0.138566 La\n0.138566 0.138566 0.138566 La\n0.611434 0.611434 0.165697 La\n0.138566 0.584303 0.138566 La\n0.138566 0.138566 0.584303 La\n0.000000 0.000000 0.000000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 10,
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"elements": [
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"density": 6.514174987554246,
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"volume": 382.7273426483005,
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"formula_full": "La8 Pt2",
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"updated_at": "2021-11-28T01:37:30.094000Z",
"spacegroup": 227
},
{
"id": "mp-560887",
"created_at": "2022-09-04T14:46:30.940150Z",
"structure_string": "Zn8 Ga8 N8 O8\n1.0\n6.530301 0.000000 0.000000\n-3.250025 -5.663603 0.000000\n-0.023609 0.010566 -10.570809\nZn Ga N O\n8 8 8 8\ndirect\n0.671117 0.843707 0.261692 Zn\n0.167195 0.833118 0.262086 Zn\n0.838523 0.661132 0.510367 Zn\n0.156712 0.328502 0.264558 Zn\n0.827216 0.654616 0.998826 Zn\n0.333610 0.168171 0.510963 Zn\n0.661352 0.839809 0.746844 Zn\n0.322102 0.660612 0.506335 Zn\n0.334159 0.669603 0.992050 Ga\n0.670231 0.326144 0.252557 Ga\n0.346112 0.171420 0.994914 Ga\n0.665167 0.323728 0.743937 Ga\n0.163028 0.332525 0.745296 Ga\n0.175016 0.835788 0.741492 Ga\n0.825221 0.171746 0.993950 Ga\n0.838390 0.177468 0.503156 Ga\n0.828093 0.171518 0.316951 N\n0.167695 0.835885 0.563611 N\n0.668784 0.327665 0.565058 N\n0.323295 0.660296 0.813862 N\n0.839071 0.175416 0.815474 N\n0.157443 0.327383 0.564492 N\n0.661572 0.323658 0.066347 N\n0.332973 0.167072 0.814012 N\n0.335220 0.665434 0.303451 O\n0.179733 0.840797 0.056698 O\n0.673331 0.846008 0.555602 O\n0.346407 0.174821 0.301267 O\n0.168210 0.333706 0.054447 O\n0.839122 0.660718 0.808358 O\n0.659526 0.839205 0.054196 O\n0.824371 0.652329 0.301166 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Zn",
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O-Zn",
"density": 5.611153369747245,
"density_atomic": 0.081849447051271,
"volume": 390.9617126668553,
"volume_molar": 7.357582704532742,
"formula_full": "Zn8 Ga8 N8 O8",
"formula_reduced": "ZnGaNO",
"formula_anonymous": "ABCD",
"energy": -177.44227752,
"energy_per_atom": -5.5450711725,
"energy_above_hull": null,
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"energy_uncorrected": -169.05827752,
"band_gap": 0.0,
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"total_magnetization": 0.001094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.613000Z",
"spacegroup": 1
},
{
"id": "mp-1217877",
"created_at": "2022-09-04T14:46:31.037405Z",
"structure_string": "Tb14 P24 Ir33\n1.0\n1.974591 11.874409 0.000000\n-1.974591 11.874409 0.000000\n0.000000 9.979492 24.896522\nTb P Ir\n14 24 33\ndirect\n0.580958 0.580958 0.372678 Tb\n0.582884 0.582884 0.872605 Tb\n0.417007 0.417007 0.127454 Tb\n0.417330 0.417330 0.627339 Tb\n0.770177 0.770177 0.346228 Tb\n0.766190 0.766190 0.844163 Tb\n0.234226 0.234226 0.155752 Tb\n0.234086 0.234086 0.655498 Tb\n0.498649 0.498649 0.251512 Tb\n0.499962 0.499962 0.749961 Tb\n0.631677 0.631677 0.001602 Tb\n0.633014 0.633014 0.501090 Tb\n0.369186 0.369186 0.496604 Tb\n0.368543 0.368543 0.998298 Tb\n0.633151 0.633151 0.211125 P\n0.633958 0.633958 0.710607 P\n0.366614 0.366614 0.289759 P\n0.366125 0.366125 0.789351 P\n0.114843 0.114843 0.084455 P\n0.115270 0.115270 0.584216 P\n0.882303 0.882303 0.413159 P\n0.885088 0.885088 0.915742 P\n0.985615 0.985615 0.165949 P\n0.985259 0.985259 0.665406 P\n0.011524 0.011524 0.337333 P\n0.014823 0.014823 0.834527 P\n0.766082 0.766082 0.058234 P\n0.766680 0.766680 0.557170 P\n0.239288 0.239288 0.441715 P\n0.233777 0.233777 0.941979 P\n0.938075 0.938075 0.037760 P\n0.938496 0.938496 0.536560 P\n0.063869 0.063869 0.461891 P\n0.061660 0.061660 0.962582 P\n0.811164 0.811164 0.189501 P\n0.811928 0.811928 0.689000 P\n0.188130 0.188130 0.310424 P\n0.188069 0.188069 0.810957 P\n0.779533 0.779533 0.462037 Ir\n0.780815 0.780815 0.963869 Ir\n0.219115 0.219115 0.036235 Ir\n0.220727 0.220727 0.537133 Ir\n0.090884 0.090884 0.175681 Ir\n0.090995 0.090995 0.675386 Ir\n0.905410 0.905410 0.321752 Ir\n0.908670 0.908670 0.824779 Ir\n0.448930 0.448930 0.373620 Ir\n0.458795 0.458795 0.869460 Ir\n0.541057 0.541057 0.130765 Ir\n0.541185 0.541185 0.630463 Ir\n0.166057 0.166057 0.403115 Ir\n0.161647 0.161647 0.903934 Ir\n0.838025 0.838025 0.096448 Ir\n0.838568 0.838568 0.595780 Ir\n0.110631 0.110631 0.273477 Ir\n0.111977 0.111977 0.771824 Ir\n0.888155 0.888155 0.226533 Ir\n0.888063 0.888063 0.728009 Ir\n0.705463 0.705463 0.257059 Ir\n0.704555 0.704555 0.757494 Ir\n0.296461 0.296461 0.243629 Ir\n0.295236 0.295236 0.742877 Ir\n0.500239 0.500239 0.999838 Ir\n0.501529 0.501529 0.499069 Ir\n0.974223 0.974223 0.436586 Ir\n0.972882 0.972882 0.937882 Ir\n0.027167 0.027167 0.062094 Ir\n0.027093 0.027093 0.562054 Ir\n0.334377 0.334377 0.887119 Ir\n0.665369 0.665369 0.113197 Ir\n0.665609 0.665609 0.612992 Ir\n",
"nsites": 71,
"nelements": 3,
"elements": [
"Tb",
"P",
"Ir"
],
"chemical_system": "Ir-P-Tb",
"density": 13.243728445233678,
"density_atomic": 0.060813572252814516,
"volume": 1167.5025388220645,
"volume_molar": 9.90262623442794,
"formula_full": "Tb14 P24 Ir33",
"formula_reduced": "Tb14(P8Ir11)3",
"formula_anonymous": "A14B24C33",
"energy": -556.33573497,
"energy_per_atom": -7.835714577042253,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.1169872,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.228000Z",
"spacegroup": 8
},
{
"id": "mp-1221708",
"created_at": "2022-09-04T14:46:31.044816Z",
"structure_string": "Mn5 Al2 V1\n1.0\n-2.899439 0.000505 -2.886423\n0.000505 -2.899439 2.886423\n-2.895664 2.895664 5.768494\nMn Al V\n5 2 1\ndirect\n0.749611 0.250389 0.248428 Mn\n0.250395 0.749605 0.751755 Mn\n0.000389 0.999611 0.001572 Mn\n0.499605 0.500395 0.498245 Mn\n0.375000 0.625000 0.125000 Mn\n0.124450 0.875550 0.372668 Al\n0.625550 0.374450 0.877332 Al\n0.875000 0.125000 0.625000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Al",
"V"
],
"chemical_system": "Al-Mn-V",
"density": 6.5013852961884435,
"density_atomic": 0.08251379033697692,
"volume": 96.95349065082226,
"volume_molar": 7.298344598407446,
"formula_full": "Mn5 Al2 V1",
"formula_reduced": "Mn5Al2V",
"formula_anonymous": "AB2C5",
"energy": -63.94968461,
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"updated_at": "2021-11-28T01:37:35.342000Z",
"spacegroup": 166
},
{
"id": "mp-1189917",
"created_at": "2022-09-04T14:46:31.320978Z",
"structure_string": "Nd6 Tl10\n1.0\n5.259052 4.197047 0.000000\n-5.259052 4.197047 0.000000\n0.000000 0.000000 10.619728\nNd Tl\n6 10\ndirect\n0.628582 0.628582 0.250000 Nd\n0.371418 0.371418 0.750000 Nd\n0.798637 0.201363 0.500000 Nd\n0.798637 0.201363 0.000000 Nd\n0.201363 0.798637 0.500000 Nd\n0.201363 0.798637 0.000000 Nd\n0.003705 0.003705 0.250000 Tl\n0.996295 0.996295 0.750000 Tl\n0.306742 0.306742 0.051312 Tl\n0.693258 0.693258 0.948688 Tl\n0.306742 0.306742 0.448688 Tl\n0.693258 0.693258 0.551312 Tl\n0.060177 0.510012 0.250000 Tl\n0.489988 0.939823 0.750000 Tl\n0.939823 0.489988 0.750000 Tl\n0.510012 0.060177 0.250000 Tl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Nd",
"Tl"
],
"chemical_system": "Nd-Tl",
"density": 10.304826368465449,
"density_atomic": 0.03412913615253462,
"volume": 468.8076465952904,
"volume_molar": 17.645160232257336,
"formula_full": "Nd6 Tl10",
"formula_reduced": "Nd3Tl5",
"formula_anonymous": "A3B5",
"energy": -58.17294633,
"energy_per_atom": -3.635809145625,
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"updated_at": "2021-11-28T01:37:31.744000Z",
"spacegroup": 63
},
{
"id": "mp-867288",
"created_at": "2022-09-04T14:46:30.602806Z",
"structure_string": "Tb2 Hg6\n1.0\n3.332698 -5.772403 0.000000\n3.332698 5.772403 0.000000\n0.000000 0.000000 5.038663\nTb Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Tb\n0.666667 0.333333 0.750000 Tb\n0.833817 0.166183 0.250000 Hg\n0.833817 0.667633 0.250000 Hg\n0.332367 0.166183 0.250000 Hg\n0.166183 0.833817 0.750000 Hg\n0.166183 0.332367 0.750000 Hg\n0.667633 0.833817 0.750000 Hg\n",
"nsites": 8,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-Tb",
"density": 13.031425990770698,
"density_atomic": 0.04126597153357838,
"volume": 193.86433186215788,
"volume_molar": 14.593478685215846,
"formula_full": "Tb2 Hg6",
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"formula_anonymous": "AB3",
"energy": -13.96605027,
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"updated_at": "2021-11-28T01:37:42.832000Z",
"spacegroup": 194
},
{
"id": "mp-1100752",
"created_at": "2022-09-04T14:46:30.670092Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.443950 2.585883 0.000000\n-1.443950 2.585883 0.000000\n0.000000 0.987173 38.829206\nLi Mn Co O\n9 2 5 16\ndirect\n0.819544 0.819544 0.558077 Li\n0.180456 0.180456 0.441923 Li\n0.563836 0.563836 0.310983 Li\n0.938373 0.938373 0.186785 Li\n0.312519 0.312519 0.062363 Li\n0.687481 0.687481 0.937637 Li\n0.061627 0.061627 0.813215 Li\n0.436164 0.436164 0.689017 Li\n0.500000 0.500000 0.500000 Li\n0.127047 0.127047 0.625222 Mn\n0.872953 0.872953 0.374778 Mn\n0.249900 0.249900 0.249774 Co\n0.625713 0.625713 0.125039 Co\n0.000000 0.000000 0.000000 Co\n0.374287 0.374287 0.874961 Co\n0.750100 0.750100 0.750226 Co\n0.486367 0.486367 0.597697 O\n0.843756 0.843756 0.468037 O\n0.236210 0.236210 0.345272 O\n0.595658 0.595658 0.221751 O\n0.967569 0.967569 0.096482 O\n0.341511 0.341511 0.970891 O\n0.717103 0.717103 0.845581 O\n0.095355 0.095355 0.721371 O\n0.156244 0.156244 0.531963 O\n0.513633 0.513633 0.402303 O\n0.904645 0.904645 0.278629 O\n0.282897 0.282897 0.154419 O\n0.658489 0.658489 0.029109 O\n0.032431 0.032431 0.903518 O\n0.404342 0.404342 0.778249 O\n0.763790 0.763790 0.654728 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.140366090056493,
"density_atomic": 0.11035714247519052,
"volume": 289.96763854404753,
"volume_molar": 5.456956047365799,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -205.60518947,
"energy_per_atom": -6.4251621709375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:35.210000Z",
"spacegroup": 12
},
{
"id": "mp-567538",
"created_at": "2022-09-04T14:46:30.954883Z",
"structure_string": "Yb2 Cu4\n1.0\n-2.117626 3.392948 3.631328\n2.117626 -3.392948 3.631328\n2.117626 3.392948 -3.631328\nYb Cu\n2 4\ndirect\n0.206877 0.456877 0.750000 Yb\n0.793123 0.543123 0.250000 Yb\n0.392547 0.837202 0.555345 Cu\n0.607453 0.162798 0.444655 Cu\n0.218143 0.162798 0.055345 Cu\n0.781857 0.837202 0.944655 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Cu"
],
"chemical_system": "Cu-Yb",
"density": 9.55079363688412,
"density_atomic": 0.05749092766273327,
"volume": 104.36429266194145,
"volume_molar": 10.474941012134108,
"formula_full": "Yb2 Cu4",
"formula_reduced": "YbCu2",
"formula_anonymous": "AB2",
"energy": -21.22732894,
"energy_per_atom": -3.5378881566666665,
"energy_above_hull": null,
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"energy_uncorrected": -21.22732894,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:40.270000Z",
"spacegroup": 74
},
{
"id": "mp-1077556",
"created_at": "2022-09-04T14:46:30.664811Z",
"structure_string": "Tb2 Sn2 Ge2\n1.0\n2.137851 -8.205945 0.000000\n2.137851 8.205945 0.000000\n0.000000 0.000000 4.109686\nTb Sn Ge\n2 2 2\ndirect\n0.905610 0.094390 0.750000 Tb\n0.094390 0.905610 0.250000 Tb\n0.255063 0.744937 0.750000 Sn\n0.744937 0.255063 0.250000 Sn\n0.552911 0.447089 0.750000 Ge\n0.447089 0.552911 0.250000 Ge\n",
"nsites": 6,
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"elements": [
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"Sn",
"Ge"
],
"chemical_system": "Ge-Sn-Tb",
"density": 8.067593309842035,
"density_atomic": 0.04161084917031075,
"volume": 144.1931640337921,
"volume_molar": 14.472525507354424,
"formula_full": "Tb2 Sn2 Ge2",
"formula_reduced": "TbSnGe",
"formula_anonymous": "ABC",
"energy": -30.36626231,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:42.462000Z",
"spacegroup": 63
},
{
"id": "mp-6412",
"created_at": "2022-09-04T14:46:30.653875Z",
"structure_string": "Li4 Cu2 P4 O14\n1.0\n2.505278 7.750743 0.000000\n-2.505278 7.750743 0.000000\n0.000000 3.795688 7.921063\nLi Cu P O\n4 2 4 14\ndirect\n0.664186 0.958038 0.052409 Li\n0.041962 0.335814 0.447591 Li\n0.958038 0.664186 0.552409 Li\n0.335814 0.041962 0.947591 Li\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.540766 0.255806 0.316764 P\n0.744194 0.459234 0.183237 P\n0.255806 0.540766 0.816763 P\n0.459234 0.744194 0.683237 P\n0.881084 0.326189 0.340152 O\n0.118916 0.673811 0.659848 O\n0.952044 0.247074 0.056302 O\n0.752926 0.047956 0.443698 O\n0.326189 0.881084 0.840152 O\n0.247074 0.952044 0.556302 O\n0.742841 0.616101 0.606898 O\n0.383899 0.257159 0.893102 O\n0.257159 0.383899 0.393102 O\n0.616101 0.742841 0.106898 O\n0.517712 0.482288 0.750000 O\n0.482288 0.517712 0.250000 O\n0.047956 0.752926 0.943698 O\n0.673811 0.118916 0.159848 O\n",
"nsites": 24,
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"elements": [
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"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 2.713826639065969,
"density_atomic": 0.07801866544335403,
"volume": 307.6186943677646,
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"formula_full": "Li4 Cu2 P4 O14",
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},
{
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"created_at": "2022-09-04T14:46:30.988975Z",
"structure_string": "Al1 B2 Pb1\n1.0\n0.000000 3.197288 3.197288\n3.197288 0.000000 3.197288\n3.197288 3.197288 0.000000\nAl B Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 B\n0.250000 0.250000 0.250000 B\n0.750000 0.750000 0.750000 Pb\n",
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"elements": [
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"B",
"Pb"
],
"chemical_system": "Al-B-Pb",
"density": 6.498010018949916,
"density_atomic": 0.06119060154006771,
"volume": 65.36951589503158,
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"formula_full": "Al1 B2 Pb1",
"formula_reduced": "AlB2Pb",
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"updated_at": "2021-11-28T01:37:41.107000Z",
"spacegroup": 216
},
{
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"structure_string": "Sr1 Ca1 Cu2 O4\n1.0\n-2.767594 2.767594 3.348639\n2.767594 -2.767594 3.348639\n2.767594 2.767594 -3.348639\nSr Ca Cu O\n1 1 2 4\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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],
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"formula_full": "Sr1 Ca1 Cu2 O4",
"formula_reduced": "SrCa(CuO2)2",
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}
]
}