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{
"id": "jvasp-4510",
"created_at": "2022-09-04T14:35:50.789330Z",
"updated_at": "2022-09-04T14:35:50.789360Z",
"structure_string": "Sc2 P2 S8\n1.0\n6.238132 -0.025616 0.003045\n1.006789 6.394695 0.076440\n0.146907 0.430979 6.637896\nSc P S\n2 2 8\ndirect\n0.794900 0.303446 0.934684 Sc\n0.205100 0.696552 0.065318 Sc\n0.690539 0.734791 0.192838 P\n0.309461 0.265208 0.807164 P\n0.577953 0.237860 0.630336 S\n0.422048 0.762139 0.369666 S\n0.884587 0.963263 0.218905 S\n0.115414 0.036735 0.781096 S\n0.596057 0.718035 0.898704 S\n0.403943 0.281963 0.101298 S\n0.918488 0.469994 0.256451 S\n0.081512 0.530005 0.743550 S\n",
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"formula_full": "Sc2 P2 S8",
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{
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"structure_string": "Sr1 Zn2 P2\n1.0\n2.058181 -3.564874 0.000000\n2.058181 3.564874 0.000000\n0.000000 0.000000 7.109580\nSr Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.631628 Zn\n0.333333 0.666667 0.368372 Zn\n0.666667 0.333333 0.272566 P\n0.333333 0.666667 0.727434 P\n",
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},
{
"id": "jvasp-92290",
"created_at": "2022-09-04T14:36:22.441987Z",
"updated_at": "2022-09-04T14:36:22.442012Z",
"structure_string": "Sr1 Zn2 P2\n1.0\n-2.058182 -3.564880 -0.000002\n-2.058186 3.564881 0.000000\n-0.000005 -0.000002 -7.109720\nSr Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333336 0.666668 0.631657 Zn\n0.666664 0.333332 0.368343 Zn\n0.333331 0.666665 0.272584 P\n0.666668 0.333334 0.727416 P\n",
"nsites": 5,
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"elements": [
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"formula_full": "Sr1 Zn2 P2",
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"spacegroup": 164
},
{
"id": "jvasp-99503",
"created_at": "2022-09-04T14:36:43.619654Z",
"updated_at": "2022-09-04T14:36:43.619673Z",
"structure_string": "Sr2 Zn1 P2\n1.0\n4.231991 0.000000 0.000000\n-2.115996 3.665012 0.000000\n-0.000000 -0.000000 8.320507\nSr Zn P\n2 1 2\ndirect\n0.000000 0.000000 0.705730 Sr\n0.000000 0.000000 0.294271 Sr\n0.666666 0.333333 -0.000000 Zn\n0.666666 0.333333 0.500000 P\n0.333332 0.666666 -0.000000 P\n",
"nsites": 5,
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"elements": [
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"density": 3.893526237546004,
"density_atomic": 0.038743609400083756,
"volume": 129.05354140776547,
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"formula_full": "Sr2 Zn1 P2",
"formula_reduced": "Sr2ZnP2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5082828040000001,
"spacegroup": 187
},
{
"id": "jvasp-7695",
"created_at": "2022-09-04T14:36:43.786631Z",
"updated_at": "2022-09-04T14:36:43.786650Z",
"structure_string": "Sr2 P6\n1.0\n5.435840 -0.006452 1.776719\n1.488567 5.547171 1.340267\n-0.007643 -0.007316 5.897723\nSr P\n2 6\ndirect\n0.147978 0.662719 0.662719 Sr\n0.852023 0.337281 0.337281 Sr\n0.305554 0.991041 0.991042 P\n0.694447 0.008958 0.008958 P\n0.681330 0.396906 0.883167 P\n0.318672 0.116832 0.603093 P\n0.318672 0.603094 0.116832 P\n0.681330 0.883168 0.396906 P\n",
"nsites": 8,
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"elements": [
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"density": 3.3684326279660453,
"density_atomic": 0.04494301748398615,
"volume": 178.00317931145847,
"volume_molar": 13.399502519264033,
"formula_full": "Sr2 P6",
"formula_reduced": "SrP3",
"formula_anonymous": "AB3",
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"spacegroup": 12
},
{
"id": "jvasp-11175",
"created_at": "2022-09-04T14:37:09.853283Z",
"updated_at": "2022-09-04T14:37:09.853309Z",
"structure_string": "Sr6 P8\n1.0\n5.543306 -0.000000 1.863191\n2.771654 7.170097 0.931596\n0.001963 -0.000000 9.171884\nSr P\n6 8\ndirect\n0.582065 0.996610 0.336158 Sr\n0.914833 0.003390 0.663842 Sr\n0.328674 0.503391 0.836158 Sr\n0.668223 0.496610 0.163842 Sr\n0.005493 0.500000 0.500000 Sr\n0.255494 0.000000 -0.000000 Sr\n0.422253 0.664282 0.498209 P\n0.584744 0.335719 0.501791 P\n0.836535 0.835719 0.998208 P\n0.670463 0.164282 0.001791 P\n0.338523 0.180821 0.655941 P\n0.175286 0.819179 0.344059 P\n0.744465 0.680821 0.844058 P\n0.269346 0.319179 0.155942 P\n",
"nsites": 14,
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"elements": [
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"chemical_system": "P-Sr",
"density": 3.5236591312002647,
"density_atomic": 0.03840668654950906,
"volume": 364.51985989348407,
"volume_molar": 15.679927900671714,
"formula_full": "Sr6 P8",
"formula_reduced": "Sr3P4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.5105558471428568,
"spacegroup": 43
},
{
"id": "jvasp-10190",
"created_at": "2022-09-04T14:37:11.095679Z",
"updated_at": "2022-09-04T14:37:11.095698Z",
"structure_string": "Sr6 P6\n1.0\n4.034277 -6.987572 -0.000000\n4.034277 6.987572 -0.000000\n0.000000 0.000000 6.046066\nSr P\n6 6\ndirect\n0.359544 0.000000 0.500000 Sr\n0.640457 0.640457 0.500000 Sr\n0.000000 0.359544 0.500000 Sr\n0.694410 0.000000 0.000000 Sr\n0.305590 0.305590 0.000000 Sr\n0.000000 0.694410 0.000000 Sr\n0.666667 0.333333 0.805556 P\n0.666667 0.333333 0.194445 P\n0.333333 0.666667 0.194445 P\n0.333333 0.666667 0.805556 P\n0.000000 0.000000 0.311455 P\n0.000000 0.000000 0.688546 P\n",
"nsites": 12,
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"elements": [
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"chemical_system": "P-Sr",
"density": 3.46630923471347,
"density_atomic": 0.0352035415426761,
"volume": 340.87479481156157,
"volume_molar": 17.10663329909451,
"formula_full": "Sr6 P6",
"formula_reduced": "SrP",
"formula_anonymous": "AB",
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"spacegroup": 189
},
{
"id": "jvasp-56342",
"created_at": "2022-09-04T14:37:33.475634Z",
"updated_at": "2022-09-04T14:37:33.475660Z",
"structure_string": "Sr4 P12\n1.0\n6.720868 -0.006347 1.339519\n2.598656 6.198154 1.339519\n0.002508 0.001666 8.613095\nSr P\n4 12\ndirect\n0.042042 0.042042 0.259377 Sr\n0.707045 0.707044 0.225149 Sr\n0.292956 0.292956 0.774851 Sr\n0.957959 0.957958 0.740623 Sr\n0.359969 0.837658 0.977399 P\n0.094624 0.605141 0.487618 P\n0.324993 0.324993 0.161601 P\n0.394860 0.905376 0.512382 P\n0.418931 0.418930 0.365170 P\n0.675008 0.675007 0.838398 P\n0.605142 0.094624 0.487618 P\n0.581071 0.581070 0.634829 P\n0.640033 0.162342 0.022600 P\n0.905377 0.394859 0.512382 P\n0.837659 0.359968 0.977399 P\n0.162343 0.640032 0.022600 P\n",
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"elements": [
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"density": 3.3412047213671223,
"density_atomic": 0.04457973152357594,
"volume": 358.90750018398876,
"volume_molar": 13.508696787048164,
"formula_full": "Sr4 P12",
"formula_reduced": "SrP3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.9033982025000005,
"spacegroup": 12
},
{
"id": "jvasp-36469",
"created_at": "2022-09-04T14:37:31.026895Z",
"updated_at": "2022-09-04T14:37:31.026910Z",
"structure_string": "Sr3 P2\n1.0\n5.644409 0.000000 -0.000000\n0.000000 5.644409 0.000000\n-0.000000 0.000000 5.644409\nSr P\n3 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 P\n",
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"elements": [
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"density": 2.9992989214535655,
"density_atomic": 0.027804467196627294,
"volume": 179.82721857754225,
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"formula_full": "Sr3 P2",
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"formula_anonymous": "A2B3",
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"spacegroup": 221
},
{
"id": "jvasp-20215",
"created_at": "2022-09-04T14:38:34.468069Z",
"updated_at": "2022-09-04T14:38:34.468088Z",
"structure_string": "Sr6 P28\n1.0\n0.000000 6.376395 -0.011153\n12.764134 0.000000 0.000000\n0.000000 -6.347998 -9.745032\nSr P\n6 28\ndirect\n-0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.184837 0.841981 0.880690 Sr\n0.815163 0.341981 0.619309 Sr\n0.815163 0.158018 0.119310 Sr\n0.184837 0.658018 0.380690 Sr\n0.584513 0.947023 0.178760 P\n0.248685 0.774665 0.635171 P\n0.751314 0.274665 0.864828 P\n0.751315 0.225335 0.364828 P\n0.248686 0.725335 0.135172 P\n0.264912 0.000270 0.185178 P\n0.264912 0.499729 0.685178 P\n0.415487 0.447024 0.321239 P\n0.735088 0.500270 0.314822 P\n0.029785 0.645874 0.643472 P\n0.970215 0.145874 0.856527 P\n0.735088 0.999729 0.814822 P\n0.415487 0.052976 0.821239 P\n0.368221 0.288813 0.227503 P\n0.631779 0.788813 0.272496 P\n0.970215 0.354126 0.356527 P\n0.368221 0.211187 0.727503 P\n0.631779 0.711187 0.772496 P\n0.291415 0.919038 0.364567 P\n0.708585 0.419038 0.135433 P\n0.708585 0.080962 0.635433 P\n0.291415 0.580962 0.864566 P\n0.621971 0.820126 0.457792 P\n0.378029 0.320127 0.042208 P\n0.378029 0.179873 0.542208 P\n0.621971 0.679873 0.957791 P\n0.584513 0.552976 0.678760 P\n0.029785 0.854126 0.143472 P\n",
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"elements": [
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"density_atomic": 0.04281880411326421,
"volume": 794.0436615199077,
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"formula_full": "Sr6 P28",
"formula_reduced": "Sr3P14",
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},
{
"id": "jvasp-2337",
"created_at": "2022-09-04T14:36:36.395557Z",
"updated_at": "2022-09-04T14:36:36.395579Z",
"structure_string": "Zn2 Sn2 P4\n1.0\n5.210863 0.000000 -2.330369\n-1.042173 5.105582 -2.330369\n0.005422 0.006641 7.003230\nZn Sn P\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.749999 0.250000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n0.352404 0.375000 0.250000 P\n0.125000 0.647595 0.750000 P\n0.624999 0.102404 0.750000 P\n0.897596 0.875000 0.250000 P\n",
"nsites": 8,
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"elements": [
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],
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"density_atomic": 0.04290035736434129,
"volume": 186.47863308126162,
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"formula_full": "Zn2 Sn2 P4",
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},
{
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"created_at": "2022-09-04T14:38:36.910629Z",
"updated_at": "2022-09-04T14:38:36.910655Z",
"structure_string": "Sr10 Sn4 P12\n1.0\n4.164019 0.000000 0.000000\n0.000000 12.236342 0.000000\n0.000000 -0.000000 13.871363\nSr Sn P\n10 4 12\ndirect\n0.000000 0.628185 0.069639 Sr\n0.000000 0.619598 0.741564 Sr\n0.000000 0.128186 0.430361 Sr\n0.000000 0.871814 0.569639 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.880401 0.241564 Sr\n0.000000 0.119598 0.758436 Sr\n0.000000 0.380402 0.258436 Sr\n0.000000 0.371814 0.930361 Sr\n0.500000 0.714436 0.395732 Sn\n0.500000 0.785564 0.895732 Sn\n0.500000 0.285564 0.604268 Sn\n0.500000 0.214436 0.104268 Sn\n0.000000 0.367155 0.695202 P\n0.000000 0.632844 0.304797 P\n0.500000 0.078133 0.602750 P\n0.500000 0.421867 0.102751 P\n0.500000 0.578133 0.897249 P\n0.500000 0.670141 0.576667 P\n0.500000 0.329859 0.423333 P\n0.500000 0.170141 0.923333 P\n0.500000 0.829859 0.076667 P\n0.500000 0.921867 0.397249 P\n0.000000 0.867155 0.804797 P\n0.000000 0.132844 0.195203 P\n",
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"elements": [
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],
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"density": 4.047451410136317,
"density_atomic": 0.03678662131999628,
"volume": 706.7786892912358,
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"formula_full": "Sr10 Sn4 P12",
"formula_reduced": "Sr5(SnP3)2",
"formula_anonymous": "A2B5C6",
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"spacegroup": 55
}
]
}