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{
"id": "jvasp-118381",
"created_at": "2022-09-04T14:38:50.948073Z",
"updated_at": "2022-09-04T14:38:50.948103Z",
"structure_string": "Ga1 P2\n1.0\n5.478487 0.000000 0.000000\n0.000000 4.151641 0.000000\n0.000000 0.000000 2.559253\nGa P\n1 2\ndirect\n0.000000 0.424012 0.000000 Ga\n0.303190 0.923993 0.000000 P\n0.696811 0.923993 0.000000 P\n",
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"volume": 58.209470493445885,
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{
"id": "jvasp-118382",
"created_at": "2022-09-04T14:38:48.394366Z",
"updated_at": "2022-09-04T14:38:48.394400Z",
"structure_string": "Ga1 P2\n1.0\n4.133032 -1.053150 0.765131\n2.869427 -4.741458 0.323855\n0.613271 -1.714110 -3.472800\nGa P\n1 2\ndirect\n0.846997 0.137255 0.609387 Ga\n0.514365 0.140237 0.146993 P\n0.639141 0.674576 0.612695 P\n",
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"formula_reduced": "GaP2",
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{
"id": "jvasp-118383",
"created_at": "2022-09-04T14:38:33.153311Z",
"updated_at": "2022-09-04T14:38:33.153328Z",
"structure_string": "Ga2 P1\n1.0\n3.732327 0.000000 -0.633807\n0.000000 2.655717 0.000000\n-0.922350 0.000000 5.875587\nGa P\n2 1\ndirect\n-0.186194 0.000000 -0.172377 Ga\n0.119505 0.000000 0.439043 Ga\n0.466688 0.000000 0.133334 P\n",
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"elements": [
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"density": 4.992185216900463,
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"volume": 56.686332783416944,
"volume_molar": 11.379102506331314,
"formula_full": "Ga2 P1",
"formula_reduced": "Ga2P",
"formula_anonymous": "AB2",
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"spacegroup": 65
},
{
"id": "jvasp-118384",
"created_at": "2022-09-04T14:38:51.016064Z",
"updated_at": "2022-09-04T14:38:51.016095Z",
"structure_string": "Ga2 P1\n1.0\n5.974336 0.869302 -1.103112\n1.800130 -3.378618 0.015677\n2.850629 1.506434 -3.427868\nGa P\n2 1\ndirect\n0.490885 0.507339 0.756779 Ga\n0.991010 0.507809 0.628009 Ga\n0.991019 0.007949 0.942272 P\n",
"nsites": 3,
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"elements": [
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"density": 4.651533183145891,
"density_atomic": 0.049311512807527276,
"volume": 60.837719818282636,
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"formula_full": "Ga2 P1",
"formula_reduced": "Ga2P",
"formula_anonymous": "AB2",
"energy_above_hull": 0.593876716666667,
"spacegroup": 21
},
{
"id": "jvasp-118387",
"created_at": "2022-09-04T14:38:39.347332Z",
"updated_at": "2022-09-04T14:38:39.347361Z",
"structure_string": "Ge2 P1\n1.0\n5.924725 0.000000 -1.064092\n0.000000 2.671283 0.000000\n-0.490485 0.000000 3.653237\nGe P\n2 1\ndirect\n-0.233338 0.000000 -0.251829 Ge\n0.388232 0.000000 0.058978 Ge\n0.077437 0.000000 0.403633 P\n",
"nsites": 3,
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"elements": [
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],
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"density": 5.187071129999902,
"density_atomic": 0.0531686906423931,
"volume": 56.42418430383546,
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"formula_full": "Ge2 P1",
"formula_reduced": "Ge2P",
"formula_anonymous": "AB2",
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"spacegroup": 65
},
{
"id": "jvasp-118388",
"created_at": "2022-09-04T14:38:50.083137Z",
"updated_at": "2022-09-04T14:38:50.083159Z",
"structure_string": "Ge1 P1\n1.0\n6.193037 0.000000 -0.000000\n-0.000000 6.193037 -0.000000\n-0.000000 -0.000000 4.381429\nGe P\n1 1\ndirect\n0.000000 0.000000 0.754113 Ge\n0.000000 0.000000 0.245887 P\n",
"nsites": 2,
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"elements": [
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"P"
],
"chemical_system": "Ge-P",
"density": 1.0238666849587212,
"density_atomic": 0.011901641595499227,
"volume": 168.04404534886416,
"volume_molar": 50.59924474853417,
"formula_full": "Ge1 P1",
"formula_reduced": "GeP",
"formula_anonymous": "AB",
"energy_above_hull": 2.174080725,
"spacegroup": 123
},
{
"id": "jvasp-118390",
"created_at": "2022-09-04T14:38:33.166137Z",
"updated_at": "2022-09-04T14:38:33.166172Z",
"structure_string": "Ge1 P2\n1.0\n3.986927 0.000000 0.000000\n0.000000 2.575772 0.000000\n0.000000 0.000000 5.564552\nGe P\n1 2\ndirect\n0.466657 0.000000 0.000000 Ge\n-0.033328 0.000000 0.697700 P\n-0.033328 0.000000 0.302298 P\n",
"nsites": 3,
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"density": 3.9109115505390304,
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"volume": 57.14469340227404,
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"formula_full": "Ge1 P2",
"formula_reduced": "GeP2",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"id": "jvasp-118391",
"created_at": "2022-09-04T14:38:51.364368Z",
"updated_at": "2022-09-04T14:38:51.364388Z",
"structure_string": "Ge2 P2\n1.0\n6.057375 -1.215398 0.719804\n4.060785 -4.706672 0.397448\n0.458431 0.082612 -3.678688\nGe P\n2 2\ndirect\n0.961334 -0.032883 -0.128297 Ge\n0.607533 0.610865 0.871359 Ge\n0.587285 0.173557 0.372237 P\n0.400849 0.984219 0.371595 P\n",
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"elements": [
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"density": 3.905989953505962,
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"volume": 88.0978710577382,
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"formula_full": "Ge2 P2",
"formula_reduced": "GeP",
"formula_anonymous": "AB",
"energy_above_hull": 1.3532457249999998,
"spacegroup": 38
},
{
"id": "jvasp-118392",
"created_at": "2022-09-04T14:38:50.163263Z",
"updated_at": "2022-09-04T14:38:50.163296Z",
"structure_string": "Ge2 P2\n1.0\n5.230820 -1.001428 0.105493\n-3.548119 -4.837670 -0.412999\n-1.576824 -1.492942 -3.062809\nGe P\n2 2\ndirect\n0.083942 0.156195 0.026670 Ge\n0.616488 0.259191 0.690689 Ge\n0.529815 0.538436 0.868194 P\n0.170616 0.876945 0.849174 P\n",
"nsites": 4,
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"elements": [
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"density": 4.083717966404873,
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"volume": 84.26375232267277,
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"formula_full": "Ge2 P2",
"formula_reduced": "GeP",
"formula_anonymous": "AB",
"energy_above_hull": 1.302955725,
"spacegroup": 12
},
{
"id": "jvasp-118393",
"created_at": "2022-09-04T14:38:39.398413Z",
"updated_at": "2022-09-04T14:38:39.398445Z",
"structure_string": "Ge1 P1\n1.0\n4.344635 0.000000 0.000000\n-2.172317 3.762564 -0.000000\n0.000000 0.000000 2.566167\nGe P\n1 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.333332 0.666666 0.000000 P\n",
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"volume": 41.94904789199301,
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"formula_full": "Ge1 P1",
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"spacegroup": 187
},
{
"id": "jvasp-118394",
"created_at": "2022-09-04T14:38:48.403686Z",
"updated_at": "2022-09-04T14:38:48.403718Z",
"structure_string": "Ge1 Pb1 S1\n1.0\n5.731381 1.597531 0.000000\n1.365183 5.498062 0.000000\n0.000000 0.000000 3.134846\nGe Pb S\n1 1 1\ndirect\n-0.055161 -0.029666 0.000000 Ge\n0.478128 -0.099814 0.000000 Pb\n-0.088984 0.386481 0.000000 S\n",
"nsites": 3,
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"density": 5.632935531303141,
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"volume": 91.94680725345586,
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"formula_full": "Ge1 Pb1 S1",
"formula_reduced": "GePbS",
"formula_anonymous": "ABC",
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"spacegroup": 6
},
{
"id": "jvasp-118395",
"created_at": "2022-09-04T14:38:50.165917Z",
"updated_at": "2022-09-04T14:38:50.165927Z",
"structure_string": "Ge1 Pb1 S3\n1.0\n4.542310 -0.000000 -0.000000\n0.000000 4.542310 -0.000000\n0.000000 0.000000 5.803407\nGe Pb S\n1 1 3\ndirect\n0.499999 0.499999 0.619386 Ge\n0.000000 0.000000 0.139148 Pb\n0.000000 0.499999 0.467720 S\n0.499999 0.000000 0.467720 S\n0.499999 0.499999 -0.003770 S\n",
"nsites": 5,
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"formula_full": "Ge1 Pb1 S3",
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"formula_anonymous": "ABC3",
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"spacegroup": 99
}
]
}