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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1243",
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"results": [
{
"id": "jvasp-112279",
"created_at": "2022-09-04T14:38:26.217049Z",
"updated_at": "2022-09-04T14:38:26.217083Z",
"structure_string": "Li8 Mn6 O14\n1.0\n4.838036 0.014506 1.205296\n1.134024 6.745360 0.811577\n-0.008598 0.009997 7.603250\nLi Mn O\n8 6 14\ndirect\n0.707826 0.060323 0.568821 Li\n0.837607 0.762665 0.285505 Li\n0.577770 0.354997 0.849204 Li\n0.422229 0.645004 0.150797 Li\n0.292174 0.939678 0.431180 Li\n0.162392 0.237336 0.714496 Li\n-0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.646834 0.235364 0.222392 Mn\n0.353165 0.764637 0.777609 Mn\n0.783047 0.925514 0.927492 Mn\n0.073228 0.370852 0.359188 Mn\n0.926771 0.629149 0.640813 Mn\n0.216953 0.074487 0.072509 Mn\n0.392177 0.220052 0.450472 O\n0.531878 0.926741 0.164189 O\n0.668514 0.639742 0.873127 O\n0.975168 0.103440 0.317371 O\n0.845513 0.378961 0.599076 O\n0.900076 0.211662 0.981283 O\n0.024831 0.896561 0.682630 O\n0.331485 0.360259 0.126874 O\n0.468122 0.073260 0.835812 O\n0.773635 0.491580 0.255632 O\n0.607823 0.779949 0.549529 O\n0.226364 0.508421 0.744369 O\n0.154487 0.621040 0.400925 O\n0.099924 0.788339 0.018718 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.077931083488122,
"density_atomic": 0.11288236140089938,
"volume": 248.04583862804373,
"volume_molar": 5.334881982679732,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.7080311588669947,
"spacegroup": 2
},
{
"id": "jvasp-93142",
"created_at": "2022-09-04T14:35:50.121793Z",
"updated_at": "2022-09-04T14:35:50.121809Z",
"structure_string": "Ce1 Hf1 Mg6\n1.0\n6.726646 0.377328 0.000000\n-3.036548 5.259454 0.000000\n0.000000 0.000000 5.177565\nCe Hf Mg\n1 1 6\ndirect\n0.144319 0.322159 0.250000 Ce\n0.167578 0.833789 0.250000 Hf\n0.651358 0.328234 0.250000 Mg\n0.651358 0.823123 0.250000 Mg\n0.346152 0.169754 0.750001 Mg\n0.346152 0.676399 0.750001 Mg\n0.822357 0.161179 0.750001 Mg\n0.870726 0.685364 0.750001 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Hf",
"Mg"
],
"chemical_system": "Ce-Hf-Mg",
"density": 4.078195024249552,
"density_atomic": 0.04230415297909661,
"volume": 189.10672916564414,
"volume_molar": 14.23534177123383,
"formula_full": "Ce1 Hf1 Mg6",
"formula_reduced": "CeHfMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3902678499999999,
"spacegroup": 38
},
{
"id": "jvasp-57448",
"created_at": "2022-09-04T14:38:33.159161Z",
"updated_at": "2022-09-04T14:38:33.159186Z",
"structure_string": "Sc6 O9\n1.0\n3.203974 -0.000000 0.000000\n-1.601987 6.544870 -1.224679\n0.000000 -0.003051 8.033454\nSc O\n6 9\ndirect\n0.968948 0.937900 0.183729 Sc\n0.635531 0.271062 0.486312 Sc\n0.308102 0.616207 0.863085 Sc\n0.031050 0.062100 0.816271 Sc\n0.364467 0.728938 0.513687 Sc\n0.691896 0.383794 0.136914 Sc\n0.173682 0.347363 0.964674 O\n0.826316 0.652637 0.035325 O\n0.208997 0.417996 0.621585 O\n0.873885 0.747774 0.720721 O\n0.499999 0.000000 0.000000 O\n0.791000 0.582004 0.378415 O\n0.467257 0.934518 0.341751 O\n0.126112 0.252226 0.279278 O\n0.532741 0.065482 0.658248 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Sc",
"O"
],
"chemical_system": "O-Sc",
"density": 4.0785400549117785,
"density_atomic": 0.08904915539157911,
"volume": 168.44629164689943,
"volume_molar": 6.762715191984271,
"formula_full": "Sc6 O9",
"formula_reduced": "Sc2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.8980122,
"spacegroup": 12
},
{
"id": "jvasp-92766",
"created_at": "2022-09-04T14:35:55.322947Z",
"updated_at": "2022-09-04T14:35:55.322977Z",
"structure_string": "Na1 Cr1 O3\n1.0\n3.685762 -0.000000 0.000000\n-0.000000 3.685762 0.000000\n-0.000000 -0.000000 3.685762\nNa Cr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Cr",
"O"
],
"chemical_system": "Cr-Na-O",
"density": 4.078646739606471,
"density_atomic": 0.09985921318310034,
"volume": 50.07049265281187,
"volume_molar": 6.030631093555579,
"formula_full": "Na1 Cr1 O3",
"formula_reduced": "NaCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0223993799999995,
"spacegroup": 221
},
{
"id": "jvasp-47298",
"created_at": "2022-09-04T14:38:09.722807Z",
"updated_at": "2022-09-04T14:38:09.722824Z",
"structure_string": "Li4 Mn5 O9 F1\n1.0\n5.105830 -0.022510 -0.007446\n-1.166818 5.209832 0.021507\n-1.787516 -2.535110 7.123743\nLi Mn O F\n4 5 9 1\ndirect\n0.893720 0.811147 0.306912 Li\n0.495091 0.962192 0.477413 Li\n0.112138 0.183449 0.689435 Li\n0.717544 0.414103 0.919124 Li\n0.202145 0.402580 0.391715 Mn\n0.008779 0.984451 0.006495 Mn\n0.601331 0.183320 0.200778 Mn\n0.792552 0.592628 0.597368 Mn\n0.389041 0.790481 0.805658 Mn\n0.436033 0.459192 0.651499 O\n0.862886 0.213016 0.436881 O\n0.278535 0.030190 0.267151 O\n0.664225 0.798599 0.026917 O\n0.943215 0.338061 0.145079 O\n0.137668 0.800304 0.571265 O\n0.555958 0.598505 0.371142 O\n0.001608 0.633933 0.842961 O\n0.356271 0.138939 0.952565 O\n0.750129 0.056445 0.737407 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.078678330252264,
"density_atomic": 0.10026595868608794,
"volume": 189.4960188780031,
"volume_molar": 6.006166837594484,
"formula_full": "Li4 Mn5 O9 F1",
"formula_reduced": "Li4Mn5O9F",
"formula_anonymous": "AB4C5D9",
"energy_above_hull": 2.915684631020871,
"spacegroup": 1
},
{
"id": "jvasp-43301",
"created_at": "2022-09-04T14:37:28.846759Z",
"updated_at": "2022-09-04T14:37:28.846775Z",
"structure_string": "Li2 Mn2 O4\n1.0\n2.901181 -0.144110 0.122266\n-1.575394 2.728661 -0.244532\n0.421500 -0.730059 10.006504\nLi Mn O\n2 2 4\ndirect\n0.325662 0.849848 0.247732 Li\n0.674338 0.524186 0.747732 Li\n0.499440 0.687332 0.497775 Mn\n0.500560 0.187892 0.997775 Mn\n0.134117 0.525229 0.883827 O\n0.867018 0.850657 0.111727 O\n0.132983 0.983640 0.611726 O\n0.865883 0.391111 0.383828 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.078696072038466,
"density_atomic": 0.10465720371643812,
"volume": 76.4400319893457,
"volume_molar": 5.754157904234282,
"formula_full": "Li2 Mn2 O4",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9467110603448277,
"spacegroup": 15
},
{
"id": "jvasp-52493",
"created_at": "2022-09-04T14:38:15.486369Z",
"updated_at": "2022-09-04T14:38:15.486393Z",
"structure_string": "Nb2 O4 F2\n1.0\n2.111635 -4.932859 -0.081885\n3.414896 4.458865 -0.350251\n-0.079252 -2.893539 4.518846\nNb O F\n2 4 2\ndirect\n0.683497 0.139694 0.745169 Nb\n0.245167 0.639694 0.183497 Nb\n0.049441 0.414509 0.887136 O\n0.464737 0.400179 0.061313 O\n0.387135 0.914510 0.549442 O\n0.561312 0.900180 0.964739 O\n0.881301 0.409272 0.469845 F\n0.969844 0.909273 0.381302 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"O",
"F"
],
"chemical_system": "F-Nb-O",
"density": 4.078774783161524,
"density_atomic": 0.06827614805640395,
"volume": 117.17122637602638,
"volume_molar": 8.820270228228194,
"formula_full": "Nb2 O4 F2",
"formula_reduced": "NbO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.824391670625,
"spacegroup": 9
},
{
"id": "jvasp-104791",
"created_at": "2022-09-04T14:36:48.748807Z",
"updated_at": "2022-09-04T14:36:48.748823Z",
"structure_string": "Ti1 Cr1 O4\n1.0\n3.488568 -0.029283 -4.209648\n-0.475764 3.456098 -4.209648\n0.025745 0.029283 5.467228\nTi Cr O\n1 1 4\ndirect\n0.750000 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 Cr\n0.962357 0.462357 0.500000 O\n0.797395 0.797394 0.000001 O\n0.537643 0.037643 0.500000 O\n0.202607 0.202607 0.000000 O\n",
"nsites": 6,
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"elements": [
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-O-Ti",
"density": 4.078945193454219,
"density_atomic": 0.08994462534016585,
"volume": 66.70771018622085,
"volume_molar": 6.695387008645129,
"formula_full": "Ti1 Cr1 O4",
"formula_reduced": "TiCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.9428549555555565,
"spacegroup": 119
},
{
"id": "jvasp-12574",
"created_at": "2022-09-04T14:36:53.463098Z",
"updated_at": "2022-09-04T14:36:53.463117Z",
"structure_string": "Sr2 Ge2 H4 O8\n1.0\n5.944047 0.023903 -1.827725\n-3.237827 4.984851 -1.827725\n-0.012915 -0.023903 6.218690\nSr Ge H O\n2 2 4 8\ndirect\n0.500000 0.500000 0.000001 Sr\n0.249999 0.750000 0.500001 Sr\n0.000000 0.000000 0.000000 Ge\n0.750000 0.250000 0.500001 Ge\n0.697944 0.625000 0.572945 H\n0.374999 0.947944 0.072945 H\n0.874999 0.302055 0.927056 H\n0.052055 0.125000 0.427056 H\n0.015843 0.929227 0.260567 O\n0.070773 0.331339 0.086617 O\n0.244722 0.984157 0.913384 O\n0.668660 0.755277 0.739434 O\n0.081339 0.320773 0.586617 O\n0.734156 0.494723 0.413384 O\n0.679226 0.265843 0.760567 O\n0.505276 0.918660 0.239434 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Ge",
"H",
"O"
],
"chemical_system": "Ge-H-O-Sr",
"density": 4.079120487066651,
"density_atomic": 0.08685078873089071,
"volume": 184.2240034178203,
"volume_molar": 6.933892999705219,
"formula_full": "Sr2 Ge2 H4 O8",
"formula_reduced": "SrGe(HO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.9451120325,
"spacegroup": 122
},
{
"id": "jvasp-120170",
"created_at": "2022-09-04T14:38:51.087941Z",
"updated_at": "2022-09-04T14:38:51.087961Z",
"structure_string": "Sc1 O1 F1\n1.0\n0.000000 2.534096 2.534096\n2.534096 0.000000 2.534096\n2.534096 2.534096 0.000000\nSc O F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750003 0.750003 0.750003 O\n0.250001 0.250001 0.250001 F\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.0793273817274525,
"density_atomic": 0.09217689376631201,
"volume": 32.546117333977826,
"volume_molar": 6.53324332588968,
"formula_full": "Sc1 O1 F1",
"formula_reduced": "ScOF",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-99592",
"created_at": "2022-09-04T14:36:45.221817Z",
"updated_at": "2022-09-04T14:36:45.221841Z",
"structure_string": "K2 Hg1 As1 Br6\n1.0\n6.778895 -0.000000 3.913797\n2.259632 6.391204 3.913797\n-0.000000 -0.000000 7.827594\nK Hg As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.759750 0.240250 0.240250 Br\n0.240250 0.240250 0.759750 Br\n0.240250 0.759749 0.759750 Br\n0.240250 0.759749 0.240251 Br\n0.759750 0.240250 0.759750 Br\n0.759750 0.759749 0.240251 Br\n",
"nsites": 10,
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"elements": [
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"Br"
],
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"density": 4.0793703852617424,
"density_atomic": 0.029486968191496276,
"volume": 339.1328649000914,
"volume_molar": 20.42305848770414,
"formula_full": "K2 Hg1 As1 Br6",
"formula_reduced": "K2HgAsBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-92863",
"created_at": "2022-09-04T14:36:09.189133Z",
"updated_at": "2022-09-04T14:36:09.189150Z",
"structure_string": "Hf1 Mg6 Nb1\n1.0\n6.414025 0.319355 0.000000\n-2.930442 5.075669 0.000000\n0.000000 0.000000 5.070890\nHf Mg Nb\n1 6 1\ndirect\n0.151038 0.825514 0.250000 Hf\n0.650956 0.325371 0.250000 Mg\n0.650959 0.825592 0.250000 Mg\n0.334027 0.170948 0.750000 Mg\n0.334032 0.663070 0.750000 Mg\n0.870571 0.185300 0.750000 Mg\n0.851212 0.675603 0.750000 Mg\n0.157210 0.328603 0.250000 Nb\n",
"nsites": 8,
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"elements": [
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"Nb"
],
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"density": 4.079476292020981,
"density_atomic": 0.04710570883101515,
"volume": 169.8307954286142,
"volume_molar": 12.78431194317349,
"formula_full": "Hf1 Mg6 Nb1",
"formula_reduced": "HfMg6Nb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.8804458374999999,
"spacegroup": 38
}
]
}