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{
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"results": [
{
"id": "jvasp-8155",
"created_at": "2022-09-04T14:37:05.650173Z",
"updated_at": "2022-09-04T14:37:05.650194Z",
"structure_string": "Li1 Ga1 O2\n1.0\n2.806415 -0.007558 4.278422\n1.272375 2.501416 4.278422\n-0.012362 -0.007558 5.116708\nLi Ga O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ga\n0.242320 0.242320 0.242320 O\n0.757681 0.757680 0.757679 O\n",
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"elements": [
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"density": 4.991273601382148,
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"volume": 36.15085825713434,
"volume_molar": 5.4426389254817815,
"formula_full": "Li1 Ga1 O2",
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"spacegroup": 166
},
{
"id": "jvasp-99966",
"created_at": "2022-09-04T14:36:41.832316Z",
"updated_at": "2022-09-04T14:36:41.832346Z",
"structure_string": "Li1 Ga1 O2\n1.0\n2.982214 -0.000000 0.000000\n0.000000 2.982214 0.000000\n0.000000 -0.000000 3.844993\nLi Ga O\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Li\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 O\n0.499999 0.499999 0.500000 O\n",
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"formula_full": "Li1 Ga1 O2",
"formula_reduced": "LiGaO2",
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"spacegroup": 123
},
{
"id": "jvasp-12810",
"created_at": "2022-09-04T14:38:29.184153Z",
"updated_at": "2022-09-04T14:38:29.184178Z",
"structure_string": "Li4 Ga20 O32\n1.0\n8.295704 0.000000 -0.000000\n-0.000000 8.295704 -0.000000\n0.000000 0.000000 8.295704\nLi Ga O\n4 20 32\ndirect\n0.625000 0.625000 0.625000 Li\n0.375000 0.125000 0.875000 Li\n0.875000 0.375000 0.125000 Li\n0.125000 0.875000 0.375000 Li\n0.253718 0.253718 0.253718 Ga\n0.003718 0.496282 0.503718 Ga\n0.496282 0.503718 0.003718 Ga\n0.503718 0.003718 0.496282 Ga\n0.753717 0.246282 0.746282 Ga\n0.246282 0.746282 0.753717 Ga\n0.746282 0.753717 0.246282 Ga\n0.996282 0.996282 0.996282 Ga\n0.614964 0.875000 0.864964 Ga\n0.125000 0.364964 0.885035 Ga\n0.635035 0.385036 0.375000 Ga\n0.364964 0.885035 0.125000 Ga\n0.885035 0.125000 0.364964 Ga\n0.114964 0.625000 0.135036 Ga\n0.385036 0.375000 0.635035 Ga\n0.864964 0.614964 0.875000 Ga\n0.135036 0.114964 0.625000 Ga\n0.625000 0.135036 0.114964 Ga\n0.375000 0.635035 0.385036 Ga\n0.875000 0.864964 0.614964 Ga\n0.387181 0.387181 0.387181 O\n0.874302 0.884358 0.380293 O\n0.130293 0.865641 0.124302 O\n0.630293 0.634358 0.875697 O\n0.865641 0.124302 0.130293 O\n0.134358 0.624302 0.369707 O\n0.124302 0.130293 0.865641 O\n0.375698 0.869707 0.365641 O\n0.380293 0.874302 0.884358 O\n0.880292 0.625698 0.115642 O\n0.619707 0.374302 0.615641 O\n0.625698 0.115642 0.880292 O\n0.615641 0.619707 0.374302 O\n0.115642 0.880292 0.625698 O\n0.112819 0.612818 0.887181 O\n0.884358 0.380293 0.874302 O\n0.374302 0.615641 0.619707 O\n0.125698 0.384358 0.119707 O\n0.384358 0.119707 0.125698 O\n0.365641 0.375698 0.869707 O\n0.369707 0.134358 0.624302 O\n0.869707 0.365641 0.375698 O\n0.119707 0.125698 0.384358 O\n0.862818 0.862818 0.862818 O\n0.634358 0.875697 0.630293 O\n0.887181 0.112819 0.612818 O\n0.612818 0.887181 0.112819 O\n0.875697 0.630293 0.634358 O\n0.637181 0.137181 0.362818 O\n0.137181 0.362818 0.637181 O\n0.624302 0.369707 0.134358 O\n0.362818 0.637181 0.137181 O\n",
"nsites": 56,
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"elements": [
"Li",
"Ga",
"O"
],
"chemical_system": "Ga-Li-O",
"density": 5.625897450719679,
"density_atomic": 0.09809080177192024,
"volume": 570.8996051455532,
"volume_molar": 6.139353182169539,
"formula_full": "Li4 Ga20 O32",
"formula_reduced": "LiGa5O8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.420719258928571,
"spacegroup": 212
},
{
"id": "jvasp-9743",
"created_at": "2022-09-04T14:37:10.335938Z",
"updated_at": "2022-09-04T14:37:10.335959Z",
"structure_string": "Li4 Ga4 O8\n1.0\n5.055041 0.000000 0.000000\n0.000000 5.437708 0.000000\n0.000000 0.000000 6.377238\nLi Ga O\n4 4 8\ndirect\n0.000789 0.581967 0.875495 Li\n0.500789 0.918034 0.375495 Li\n0.000789 0.081967 0.624505 Li\n0.500789 0.418034 0.124505 Li\n0.004443 0.583952 0.374088 Ga\n0.504443 0.416049 0.625913 Ga\n0.504443 0.916049 0.874088 Ga\n0.004443 0.083951 0.125913 Ga\n0.375788 0.072003 0.115206 O\n0.375788 0.572003 0.384794 O\n0.875788 0.927997 0.884794 O\n0.875788 0.427997 0.615206 O\n0.892180 0.410985 0.135160 O\n0.392180 0.589016 0.864841 O\n0.392180 0.089016 0.635160 O\n0.892180 0.910985 0.364840 O\n",
"nsites": 16,
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"elements": [
"Li",
"Ga",
"O"
],
"chemical_system": "Ga-Li-O",
"density": 4.117340556286439,
"density_atomic": 0.09127393881027299,
"volume": 175.29647792737944,
"volume_molar": 6.5978754050682,
"formula_full": "Li4 Ga4 O8",
"formula_reduced": "LiGaO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7200798312500001,
"spacegroup": 33
},
{
"id": "jvasp-40325",
"created_at": "2022-09-04T14:37:45.617921Z",
"updated_at": "2022-09-04T14:37:45.617946Z",
"structure_string": "Li1 Ga2 Ni1\n1.0\n-0.000000 2.961838 2.961838\n2.961838 0.000000 2.961838\n2.961838 2.961838 0.000000\nLi Ga Ni\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Li\n0.000000 0.000000 0.000000 Ga\n0.499999 0.499999 0.499999 Ga\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 4,
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"elements": [
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"Ga",
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],
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"density": 6.553289521855864,
"density_atomic": 0.07697436118768504,
"volume": 51.96535493483187,
"volume_molar": 7.8235670515229545,
"formula_full": "Li1 Ga2 Ni1",
"formula_reduced": "LiGa2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1198892625,
"spacegroup": 225
},
{
"id": "jvasp-40302",
"created_at": "2022-09-04T14:37:52.023952Z",
"updated_at": "2022-09-04T14:37:52.023986Z",
"structure_string": "Li1 Ga1 Ni2\n1.0\n0.000005 2.839176 2.839177\n2.839177 0.000008 2.839173\n2.839180 2.839175 0.000005\nLi Ga Ni\n1 1 2\ndirect\n0.750000 0.749998 0.750000 Li\n0.250001 0.250000 0.250000 Ga\n-0.000001 0.999999 0.000001 Ni\n0.499999 0.500001 0.500002 Ni\n",
"nsites": 4,
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"elements": [
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"Ga",
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],
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"density": 7.039775627027947,
"density_atomic": 0.08738849777363494,
"volume": 45.772614267398446,
"volume_molar": 6.891228151786443,
"formula_full": "Li1 Ga1 Ni2",
"formula_reduced": "LiGaNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4924717812500001,
"spacegroup": 225
},
{
"id": "jvasp-110438",
"created_at": "2022-09-04T14:38:39.183096Z",
"updated_at": "2022-09-04T14:38:39.183116Z",
"structure_string": "Li2 Nd1 Ga1\n1.0\n4.111695 -0.000000 2.373888\n1.370565 3.876544 2.373888\n0.000000 0.000000 4.747777\nLi Nd Ga\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Li\n0.750002 0.749999 0.750000 Li\n0.000000 0.000000 0.000000 Nd\n0.500001 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
"Li",
"Nd",
"Ga"
],
"chemical_system": "Ga-Li-Nd",
"density": 4.999614171847314,
"density_atomic": 0.05285718977903622,
"volume": 75.67560849756804,
"volume_molar": 11.39322916177517,
"formula_full": "Li2 Nd1 Ga1",
"formula_reduced": "Li2NdGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5737834562500002,
"spacegroup": 225
},
{
"id": "jvasp-41658",
"created_at": "2022-09-04T14:37:48.392189Z",
"updated_at": "2022-09-04T14:37:48.392212Z",
"structure_string": "Li1 Nd2 Ga1\n1.0\n0.000000 3.695839 3.695839\n3.695839 -0.000000 3.695839\n3.695839 3.695839 -0.000000\nLi Nd Ga\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.249999 0.249999 0.249999 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
],
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"density": 6.005496193545359,
"density_atomic": 0.03961784637864377,
"volume": 100.96459968495974,
"volume_molar": 15.20057577699698,
"formula_full": "Li1 Nd2 Ga1",
"formula_reduced": "LiNd2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8078288312499999,
"spacegroup": 225
},
{
"id": "jvasp-20933",
"created_at": "2022-09-04T14:38:20.185007Z",
"updated_at": "2022-09-04T14:38:20.185034Z",
"structure_string": "Li24 Ga8 N16\n1.0\n7.836417 -0.000000 -2.770591\n-3.918208 6.786535 -2.770591\n0.000000 -0.000000 8.311774\nLi Ga N\n24 8 16\ndirect\n0.994617 0.470099 0.233455 Li\n0.970099 0.975482 0.236645 Li\n0.733455 0.263356 0.238837 Li\n0.529902 0.766546 0.005384 Li\n0.494617 0.261163 0.524519 Li\n0.238837 0.733455 0.263356 Li\n0.766546 0.005383 0.529902 Li\n0.524519 0.494617 0.261163 Li\n0.261163 0.524519 0.494617 Li\n0.236645 0.970099 0.975481 Li\n0.263356 0.238837 0.733454 Li\n0.005383 0.529902 0.766545 Li\n0.975482 0.236645 0.970098 Li\n0.029902 0.024519 0.763355 Li\n0.736645 0.761164 0.266546 Li\n0.738837 0.475482 0.505383 Li\n0.475482 0.505384 0.738837 Li\n0.233455 0.994617 0.470098 Li\n0.763356 0.029902 0.024519 Li\n0.024519 0.763356 0.029902 Li\n0.470098 0.233455 0.994617 Li\n0.266546 0.736645 0.761163 Li\n0.761164 0.266546 0.736645 Li\n0.505383 0.738837 0.475482 Li\n0.237830 0.237830 0.237830 Ga\n0.000000 0.737830 0.500000 Ga\n0.762171 0.762171 0.762170 Ga\n0.262170 0.500000 0.000000 Ga\n0.500000 0.000000 0.262170 Ga\n0.000000 0.262171 0.500000 Ga\n0.737830 0.500000 0.000000 Ga\n0.500000 0.000000 0.737829 Ga\n0.480326 0.230326 0.250000 N\n0.980326 0.730326 0.250000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.250000 0.480326 0.230326 N\n0.019675 0.269675 0.750000 N\n0.000000 0.000000 0.000000 N\n0.750000 0.519675 0.769675 N\n0.230325 0.250000 0.480325 N\n0.730326 0.250000 0.980325 N\n0.519675 0.769675 0.750000 N\n0.769675 0.750001 0.519675 N\n0.250000 0.980326 0.730325 N\n0.750000 0.019675 0.269675 N\n0.269675 0.750001 0.019675 N\n",
"nsites": 48,
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"elements": [
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"N"
],
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"density": 3.5629991590440424,
"density_atomic": 0.10858801143193988,
"volume": 442.0377476945062,
"volume_molar": 5.545861537186837,
"formula_full": "Li24 Ga8 N16",
"formula_reduced": "Li3GaN2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0971681375,
"spacegroup": 206
},
{
"id": "jvasp-57362",
"created_at": "2022-09-04T14:37:44.293704Z",
"updated_at": "2022-09-04T14:37:44.293728Z",
"structure_string": "Li2 Ga2 Mo4 O16\n1.0\n6.765386 -0.037497 0.035397\n-1.851125 6.912893 0.005432\n-2.572342 -0.813642 6.763288\nLi Ga Mo O\n2 2 4 16\ndirect\n0.227977 0.552478 0.748058 Li\n0.772025 0.447522 0.251943 Li\n0.401528 0.099438 0.318931 Ga\n0.598474 0.900561 0.681069 Ga\n0.822239 0.963956 0.220413 Mo\n0.177763 0.036043 0.779587 Mo\n0.668798 0.425140 0.711419 Mo\n0.331204 0.574859 0.288581 Mo\n0.314645 0.869079 0.728730 O\n0.908946 0.519146 0.667928 O\n0.091055 0.480854 0.332072 O\n0.885956 0.950489 0.645900 O\n0.519155 0.617204 0.651401 O\n0.114047 0.049511 0.354101 O\n0.480847 0.382796 0.348599 O\n0.685356 0.130921 0.271270 O\n0.284380 0.276083 0.738946 O\n0.582579 0.159164 0.613919 O\n0.417423 0.840836 0.386081 O\n0.251849 0.572150 0.036915 O\n0.765448 0.957231 0.963152 O\n0.234553 0.042769 0.036848 O\n0.715621 0.723915 0.261055 O\n0.748153 0.427850 0.963085 O\n",
"nsites": 24,
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"elements": [
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"Mo",
"O"
],
"chemical_system": "Ga-Li-Mo-O",
"density": 4.160259394127857,
"density_atomic": 0.07581697147179887,
"volume": 316.55181596019196,
"volume_molar": 7.94299830644121,
"formula_full": "Li2 Ga2 Mo4 O16",
"formula_reduced": "LiGa(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0241101770833336,
"spacegroup": 2
},
{
"id": "jvasp-45925",
"created_at": "2022-09-04T14:35:48.036764Z",
"updated_at": "2022-09-04T14:35:48.036781Z",
"structure_string": "Li2 Mn3 Ga1 O8\n1.0\n0.079797 4.134218 4.134218\n4.134218 0.079797 4.134218\n4.134218 4.134218 0.079797\nLi Mn Ga O\n2 3 1 8\ndirect\n0.122894 0.122894 0.122894 Li\n0.877107 0.877107 0.877107 Li\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Ga\n0.263011 0.263011 0.263011 O\n0.713545 0.257363 0.257363 O\n0.257363 0.713545 0.257363 O\n0.257363 0.257363 0.713545 O\n0.742638 0.286456 0.742638 O\n0.742638 0.742638 0.286456 O\n0.286456 0.742638 0.742638 O\n0.736990 0.736990 0.736990 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ga-Li-Mn-O",
"density": 4.554733851134892,
"density_atomic": 0.10201776119788379,
"volume": 137.23100600927918,
"volume_molar": 5.9030316773163225,
"formula_full": "Li2 Mn3 Ga1 O8",
"formula_reduced": "Li2Mn3GaO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.7628851463669952,
"spacegroup": 166
},
{
"id": "jvasp-112809",
"created_at": "2022-09-04T14:38:44.344371Z",
"updated_at": "2022-09-04T14:38:44.344399Z",
"structure_string": "Li2 Mn3 Ga1 O8\n1.0\n5.037266 0.060469 2.959403\n1.722898 4.733723 2.959711\n0.085829 0.060306 5.841631\nLi Mn Ga O\n2 3 1 8\ndirect\n0.123113 0.123092 0.123102 Li\n0.876889 0.876909 0.876896 Li\n0.499998 0.000003 0.499998 Mn\n0.499999 0.499999 0.000001 Mn\n0.000002 0.499998 0.499999 Mn\n0.500000 0.500000 0.500000 Ga\n0.262958 0.262927 0.262931 O\n0.713576 0.257362 0.257366 O\n0.257367 0.713584 0.257388 O\n0.257363 0.257376 0.713580 O\n0.742635 0.286417 0.742610 O\n0.742639 0.742625 0.286417 O\n0.286426 0.742638 0.742632 O\n0.737045 0.737074 0.737067 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.565526425338502,
"density_atomic": 0.10225949524729264,
"volume": 136.90660183823522,
"volume_molar": 5.8890773374509084,
"formula_full": "Li2 Mn3 Ga1 O8",
"formula_reduced": "Li2Mn3GaO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.7616430035098523,
"spacegroup": 166
}
]
}