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{
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"results": [
{
"id": "jvasp-112295",
"created_at": "2022-09-04T14:38:26.342520Z",
"updated_at": "2022-09-04T14:38:26.342545Z",
"structure_string": "Li4 H8 N4\n1.0\n3.967154 -0.000000 0.000000\n0.000000 4.629164 0.000000\n0.000000 -0.000000 5.430160\nLi H N\n4 8 4\ndirect\n0.250000 0.628553 0.120479 Li\n0.250000 0.128553 0.379521 Li\n0.749999 0.371446 0.879521 Li\n0.749999 0.871446 0.620479 Li\n0.250000 0.242996 0.822234 H\n0.250000 0.742995 0.677766 H\n0.749999 0.757004 0.177766 H\n0.749999 0.257004 0.322234 H\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 H\n0.500000 0.000000 -0.000000 H\n-0.000000 0.500000 0.500000 H\n0.250000 0.197715 0.008376 N\n0.250000 0.697715 0.491624 N\n0.749999 0.802284 -0.008376 N\n0.749999 0.302284 0.508376 N\n",
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],
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"formula_full": "Li4 H8 N4",
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{
"id": "jvasp-88310",
"created_at": "2022-09-04T14:35:42.816278Z",
"updated_at": "2022-09-04T14:35:42.816307Z",
"structure_string": "Li16 H8 N8\n1.0\n-3.529383 4.993738 3.518188\n3.529383 -4.993738 3.518188\n3.529383 4.993738 -3.518188\nLi H N\n16 8 8\ndirect\n0.987740 0.120266 0.367474 Li\n0.717957 0.595280 0.108195 Li\n0.487085 0.095279 0.377323 Li\n0.717957 0.109761 0.622677 Li\n0.253463 0.645288 0.622691 Li\n0.022597 0.630772 0.377308 Li\n0.253463 0.130772 0.108175 Li\n0.022597 0.145288 0.891825 Li\n0.487085 0.609761 0.891805 Li\n0.870312 0.870287 0.500025 Li\n0.476340 0.620289 0.356051 Li\n0.264238 0.120288 0.643949 Li\n0.247184 0.620282 0.126902 Li\n0.493380 0.120281 0.873098 Li\n0.752792 0.620265 0.632526 Li\n0.370262 0.370286 0.499975 Li\n0.064017 0.453675 0.777152 H\n0.676523 0.286864 0.222848 H\n0.064017 0.786864 0.110341 H\n0.676523 0.953675 0.889658 H\n0.959411 0.260898 0.198514 H\n0.781159 0.479646 0.801512 H\n0.678134 0.979646 0.198488 H\n0.062384 0.760897 0.801486 H\n0.129686 0.900803 0.289950 N\n0.600838 0.359749 0.741088 N\n0.618662 0.859750 0.258911 N\n0.121878 0.880804 0.741073 N\n0.139731 0.380804 0.258926 N\n0.129686 0.339735 0.728882 N\n0.610853 0.400804 0.271118 N\n0.610853 0.839735 0.710050 N\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "H-Li-N",
"density": 1.5476860035536628,
"density_atomic": 0.12901684028181745,
"volume": 248.02963651954983,
"volume_molar": 4.667716824288642,
"formula_full": "Li16 H8 N8",
"formula_reduced": "Li2HN",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1261883125,
"spacegroup": 74
},
{
"id": "jvasp-118459",
"created_at": "2022-09-04T14:38:44.863365Z",
"updated_at": "2022-09-04T14:38:44.863391Z",
"structure_string": "Li2 H1 N1\n1.0\n1.785077 1.030615 2.998664\n-1.785077 1.030615 2.998664\n0.000000 -2.061229 2.998664\nLi H N\n2 1 1\ndirect\n0.282565 0.282565 0.282566 Li\n0.747129 0.747129 0.747133 Li\n0.088827 0.088827 0.088827 H\n0.974472 0.974472 0.974477 N\n",
"nsites": 4,
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"elements": [
"Li",
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],
"chemical_system": "H-Li-N",
"density": 1.4496531907330334,
"density_atomic": 0.1208447151058997,
"volume": 33.10033042400477,
"volume_molar": 4.98337122539668,
"formula_full": "Li2 H1 N1",
"formula_reduced": "Li2HN",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1381308125,
"spacegroup": 160
},
{
"id": "jvasp-118456",
"created_at": "2022-09-04T14:38:44.793703Z",
"updated_at": "2022-09-04T14:38:44.793728Z",
"structure_string": "Li2 H1 N1\n1.0\n3.581892 -0.000000 0.000000\n-1.790946 3.102010 0.000000\n-0.000000 0.000000 2.783514\nLi H N\n2 1 1\ndirect\n0.333333 0.666667 0.000000 Li\n0.666666 0.333334 0.000000 Li\n0.000000 0.000000 0.499999 H\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
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],
"chemical_system": "H-Li-N",
"density": 1.5514841900960048,
"density_atomic": 0.12933346136992496,
"volume": 30.927804433835057,
"volume_molar": 4.656289792457671,
"formula_full": "Li2 H1 N1",
"formula_reduced": "Li2HN",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2158458125,
"spacegroup": 191
},
{
"id": "jvasp-118458",
"created_at": "2022-09-04T14:38:44.815451Z",
"updated_at": "2022-09-04T14:38:44.815476Z",
"structure_string": "Li2 H1 N1\n1.0\n-1.765201 2.719085 1.653586\n1.765201 -2.719085 1.653586\n1.765201 2.719085 -1.653586\nLi H N\n2 1 1\ndirect\n0.201963 0.490371 0.711590 Li\n0.778783 0.490373 0.288409 Li\n0.743489 0.743489 0.000000 H\n0.055769 0.055769 -0.000000 N\n",
"nsites": 4,
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"elements": [
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],
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"density": 1.5114462868467637,
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"volume": 31.747075652673203,
"volume_molar": 4.779633957469173,
"formula_full": "Li2 H1 N1",
"formula_reduced": "Li2HN",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1323008125,
"spacegroup": 44
},
{
"id": "jvasp-117121",
"created_at": "2022-09-04T14:38:45.535462Z",
"updated_at": "2022-09-04T14:38:45.535485Z",
"structure_string": "Li4 H8 N4\n1.0\n3.840214 -0.000000 0.000000\n0.000000 5.243264 0.000000\n-0.000000 -0.000000 6.760284\nLi H N\n4 8 4\ndirect\n0.179968 0.665337 0.584847 Li\n0.679968 0.834662 0.415153 Li\n0.320031 0.334663 0.084847 Li\n0.820031 0.165337 0.915153 Li\n0.674090 0.542754 0.761862 H\n0.174090 -0.042754 0.238137 H\n-0.174090 0.457245 0.261863 H\n0.325909 0.042754 0.738137 H\n0.656585 0.348371 0.574684 H\n0.156586 0.151629 0.425315 H\n0.843413 0.651629 0.074685 H\n0.343414 0.848370 0.925315 H\n0.183671 0.962036 0.390219 N\n0.683670 0.537963 0.609781 N\n0.316329 0.037963 0.890218 N\n0.816328 0.462036 0.109781 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"H",
"N"
],
"chemical_system": "H-Li-N",
"density": 1.120538005400548,
"density_atomic": 0.1175433028784487,
"volume": 136.1200477456854,
"volume_molar": 5.123338048640239,
"formula_full": "Li4 H8 N4",
"formula_reduced": "LiH2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6139833124999994,
"spacegroup": 19
},
{
"id": "jvasp-112944",
"created_at": "2022-09-04T14:38:45.782841Z",
"updated_at": "2022-09-04T14:38:45.782868Z",
"structure_string": "Li4 H8 N4\n1.0\n3.853196 -0.000000 0.000000\n0.000000 4.681353 0.000000\n-0.000000 -0.000000 5.243613\nLi H N\n4 8 4\ndirect\n0.076950 0.500000 0.250000 Li\n0.076950 0.000000 0.250000 Li\n0.923051 0.000000 0.750000 Li\n0.923051 0.500000 0.750000 Li\n0.500000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n0.500000 0.000000 -0.000000 H\n0.500000 0.500000 -0.000000 H\n0.642971 0.250000 0.222222 H\n0.357030 0.250000 0.722222 H\n0.357030 0.750000 0.777778 H\n0.642971 0.750000 0.277778 H\n0.311355 0.750000 0.971498 N\n0.688646 0.750000 0.471498 N\n0.311355 0.250000 0.528501 N\n0.688646 0.250000 0.028501 N\n",
"nsites": 16,
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"elements": [
"Li",
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],
"chemical_system": "H-Li-N",
"density": 1.61259593624527,
"density_atomic": 0.1691596819037626,
"volume": 94.58518613851871,
"volume_molar": 3.5600331546060033,
"formula_full": "Li4 H8 N4",
"formula_reduced": "LiH2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6739983125,
"spacegroup": 57
},
{
"id": "jvasp-78922",
"created_at": "2022-09-04T14:36:46.501490Z",
"updated_at": "2022-09-04T14:36:46.501525Z",
"structure_string": "Li2 H1 N1\n1.0\n3.635047 -0.042257 -0.029881\n1.780928 3.084658 -0.000000\n1.780928 1.028220 2.908244\nLi H N\n2 1 1\ndirect\n0.151520 0.282827 0.282827 Li\n0.760307 0.746565 0.746564 Li\n0.732780 0.089073 0.089074 H\n0.076399 0.974535 0.974533 N\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.12143998054537333,
"volume": 32.93808169300134,
"volume_molar": 4.9589441079908285,
"formula_full": "Li2 H1 N1",
"formula_reduced": "Li2HN",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1457883125,
"spacegroup": 160
},
{
"id": "jvasp-13813",
"created_at": "2022-09-04T14:37:42.924582Z",
"updated_at": "2022-09-04T14:37:42.924593Z",
"structure_string": "Li8 H2 N2\n1.0\n4.809232 0.002795 -0.007336\n-0.027595 4.821850 -0.013391\n-2.383149 -2.398608 4.916502\nLi H N\n8 2 2\ndirect\n0.827783 0.472590 0.067463 Li\n0.474952 0.239303 0.566399 Li\n0.908557 0.172916 0.433615 Li\n0.760315 0.905151 0.932548 Li\n0.239683 0.094849 0.067451 Li\n0.091441 0.827084 0.566384 Li\n0.525046 0.760698 0.433600 Li\n0.172214 0.527410 0.932536 Li\n0.373372 0.623385 0.746745 H\n0.626626 0.376615 0.253254 H\n0.875260 0.125262 0.750515 N\n0.124738 0.874738 0.249484 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
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],
"chemical_system": "H-Li-N",
"density": 1.2487369920380191,
"density_atomic": 0.10547417974303146,
"volume": 113.77192057085254,
"volume_molar": 5.709587668443446,
"formula_full": "Li8 H2 N2",
"formula_reduced": "Li4HN",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.855058875,
"spacegroup": 88
},
{
"id": "jvasp-90731",
"created_at": "2022-09-04T14:36:21.754804Z",
"updated_at": "2022-09-04T14:36:21.754828Z",
"structure_string": "Li2 H4 N2\n1.0\n-1.639412 -5.201203 -0.465815\n-1.639412 5.201203 -0.465815\n-1.794911 0.000000 -4.396247\nLi H N\n2 4 2\ndirect\n0.153277 0.186375 0.323603 Li\n0.186375 0.153276 0.823604 Li\n0.756879 0.429380 0.196678 H\n0.429380 0.756879 0.696678 H\n0.582245 0.910098 0.950399 H\n0.910099 0.582245 0.450399 H\n0.569777 0.769906 0.823596 N\n0.769906 0.569777 0.323595 N\n",
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"elements": [
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],
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"density_atomic": 0.12070838197936828,
"volume": 66.27543066037764,
"volume_molar": 4.988999654580173,
"formula_full": "Li2 H4 N2",
"formula_reduced": "LiH2N",
"formula_anonymous": "ABC2",
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"spacegroup": 15
},
{
"id": "jvasp-111841",
"created_at": "2022-09-04T14:38:42.321777Z",
"updated_at": "2022-09-04T14:38:42.321800Z",
"structure_string": "Li1 Mn2 P2 H4 O10\n1.0\n4.945232 0.065733 -1.222388\n-1.215496 5.022636 -1.330381\n0.025502 -0.096369 7.532633\nLi Mn P H O\n1 2 2 4 10\ndirect\n0.090104 0.394722 0.920474 Li\n0.989392 0.489936 0.494484 Mn\n0.512276 0.008002 0.002665 Mn\n0.427171 0.588936 0.256399 P\n0.568392 0.424180 0.746629 P\n0.884932 0.936215 0.293593 H\n0.075295 0.124821 0.207118 H\n0.116639 0.023417 0.686326 H\n0.925071 0.855662 0.786537 H\n0.669552 0.729823 0.844941 O\n0.243966 0.346706 0.688911 O\n0.319617 0.286212 0.133877 O\n0.747705 0.662384 0.333977 O\n0.328700 0.738831 0.110788 O\n0.690820 0.280438 0.891007 O\n0.296738 0.650502 0.422202 O\n0.103188 0.878622 0.747141 O\n0.678372 0.339379 0.571255 O\n0.907053 0.103712 0.254526 O\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "H-Li-Mn-O-P",
"density": 3.0427152812637863,
"density_atomic": 0.1015633930057236,
"volume": 187.0752781854113,
"volume_molar": 5.929440304993181,
"formula_full": "Li1 Mn2 P2 H4 O10",
"formula_reduced": "LiMn2P2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
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"spacegroup": 1
},
{
"id": "jvasp-44777",
"created_at": "2022-09-04T14:38:12.250727Z",
"updated_at": "2022-09-04T14:38:12.250754Z",
"structure_string": "Li2 Mn2 P4 H2 O14\n1.0\n6.591472 -0.033692 -0.038344\n0.291756 6.464567 0.017577\n2.336918 0.706834 6.014399\nLi Mn P H O\n2 2 4 2 14\ndirect\n0.157279 0.103474 0.776435 Li\n0.842721 0.896526 0.223567 Li\n0.723568 0.347074 0.895263 Mn\n0.276432 0.652926 0.104738 Mn\n0.230185 0.157053 0.226359 P\n0.813865 0.394366 0.360703 P\n0.186135 0.605634 0.639298 P\n0.769815 0.842947 0.773643 P\n0.499392 0.159255 0.347085 H\n0.500608 0.840745 0.652916 H\n0.984986 0.752744 0.609899 O\n0.282125 0.734642 0.768060 O\n0.637195 0.673751 0.948100 O\n0.331285 0.593085 0.402476 O\n0.921280 0.597949 0.227474 O\n0.078720 0.402051 0.772527 O\n0.834332 0.018878 0.874679 O\n0.362805 0.326249 0.051901 O\n0.717875 0.265358 0.231942 O\n0.015014 0.247256 0.390102 O\n0.165668 0.981122 0.125322 O\n0.352292 0.079226 0.391763 O\n0.668715 0.406914 0.597525 O\n0.647708 0.920774 0.608239 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 3.0624991258305485,
"density_atomic": 0.0934481784736528,
"volume": 256.8268359213301,
"volume_molar": 6.444363986931975,
"formula_full": "Li2 Mn2 P4 H2 O14",
"formula_reduced": "LiMnP2HO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.9124868951149425,
"spacegroup": 2
}
]
}