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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1142",
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{
"id": "jvasp-8130",
"created_at": "2022-09-04T14:37:02.271334Z",
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"structure_string": "Si2 S4\n1.0\n4.832019 -0.000000 -2.551226\n-1.347005 4.640472 -2.551226\n0.010836 0.014428 5.872053\nSi S\n2 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.499999 Si\n0.352827 0.375000 0.249999 S\n0.125000 0.647173 0.749999 S\n0.625001 0.102827 0.750000 S\n0.897173 0.875000 0.249998 S\n",
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{
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"structure_string": "Si2 S4\n1.0\n4.998459 0.000000 -2.511827\n-1.237157 4.726651 -2.461905\n-0.019421 0.052976 6.190656\nSi S\n2 4\ndirect\n0.750000 -0.000000 -0.000000 Si\n0.250000 -0.000000 -0.000000 Si\n0.881450 0.667052 0.762901 S\n0.118550 0.332948 0.237100 S\n0.618550 0.904152 0.237100 S\n0.381450 0.095849 0.762901 S\n",
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{
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"structure_string": "Si2 Ru1\n1.0\n2.896015 0.000000 0.000000\n0.000000 2.896015 0.000000\n0.000000 -0.000000 5.287047\nSi Ru\n2 1\ndirect\n0.500001 0.500001 0.721151 Si\n0.500001 0.500001 0.278850 Si\n0.000000 0.000000 0.000000 Ru\n",
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"elements": [
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"density": 5.888438038156456,
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"volume": 44.34194971218495,
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"spacegroup": 123
},
{
"id": "jvasp-16865",
"created_at": "2022-09-04T14:38:30.124095Z",
"updated_at": "2022-09-04T14:38:30.124123Z",
"structure_string": "Si2 Ru1\n1.0\n3.496503 0.000000 2.018706\n1.165501 3.296535 2.018706\n-0.000000 -0.000000 4.037414\nSi Ru\n2 1\ndirect\n0.749999 0.749999 0.750001 Si\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 3,
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"elements": [
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"density": 5.610738314822125,
"density_atomic": 0.06446535428621163,
"volume": 46.53662472218297,
"volume_molar": 9.341670152409392,
"formula_full": "Si2 Ru1",
"formula_reduced": "Si2Ru",
"formula_anonymous": "AB2",
"energy_above_hull": 3.138499233333333,
"spacegroup": 225
},
{
"id": "jvasp-105316",
"created_at": "2022-09-04T14:36:58.592271Z",
"updated_at": "2022-09-04T14:36:58.592291Z",
"structure_string": "Si2 Rh3\n1.0\n3.981920 0.000000 0.000000\n-1.990961 3.448444 0.000000\n0.000000 -0.000000 5.181412\nSi Rh\n2 3\ndirect\n0.333333 0.666666 0.206704 Si\n0.666666 0.333333 0.793296 Si\n0.333333 0.666666 0.672885 Rh\n0.666666 0.333333 0.327115 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 5,
"nelements": 2,
"elements": [
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],
"chemical_system": "Rh-Si",
"density": 8.516168555335168,
"density_atomic": 0.07027586008542008,
"volume": 71.14818650276946,
"volume_molar": 8.569287878768197,
"formula_full": "Si2 Rh3",
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"formula_anonymous": "A2B3",
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"spacegroup": 164
},
{
"id": "jvasp-88946",
"created_at": "2022-09-04T14:36:18.883428Z",
"updated_at": "2022-09-04T14:36:18.883453Z",
"structure_string": "Si2 Pt6\n1.0\n4.764655 0.048624 -2.628161\n-3.105519 4.595142 -0.079127\n0.044701 -0.028032 5.546445\nSi Pt\n2 6\ndirect\n0.078299 0.287203 0.287204 Si\n0.921700 0.712796 0.712797 Si\n0.500000 0.725624 0.274375 Pt\n0.500000 0.274375 0.725626 Pt\n-0.000000 0.815648 0.184351 Pt\n-0.000000 0.184352 0.815649 Pt\n0.639004 0.281403 0.281404 Pt\n0.360996 0.718596 0.718597 Pt\n",
"nsites": 8,
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"elements": [
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"density": 16.618167950697384,
"density_atomic": 0.06526713048330152,
"volume": 122.57318409374206,
"volume_molar": 9.226912100173845,
"formula_full": "Si2 Pt6",
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"spacegroup": 12
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{
"id": "jvasp-91690",
"created_at": "2022-09-04T14:36:15.123971Z",
"updated_at": "2022-09-04T14:36:15.123996Z",
"structure_string": "Si2 Pt6\n1.0\n0.000000 -0.000000 3.979129\n5.522226 -0.000000 0.000000\n0.000000 5.522226 0.000000\nSi Pt\n2 6\ndirect\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.318043 0.818043 Pt\n0.000000 0.681958 0.181957 Pt\n0.000000 0.181957 0.318043 Pt\n0.000000 0.818043 0.681958 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 8,
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"elements": [
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],
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"density": 16.786580604047707,
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"volume": 121.34345925282676,
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"formula_full": "Si2 Pt6",
"formula_reduced": "SiPt3",
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"spacegroup": 127
},
{
"id": "jvasp-105326",
"created_at": "2022-09-04T14:36:57.258406Z",
"updated_at": "2022-09-04T14:36:57.258442Z",
"structure_string": "Si2 P4 Rh1\n1.0\n4.676137 0.007574 1.568001\n-1.125470 4.538682 1.568001\n0.006551 0.008388 5.624445\nSi P Rh\n2 4 1\ndirect\n0.589130 0.589129 0.136247 Si\n0.410871 0.410870 0.863752 Si\n0.161121 0.710145 0.345076 P\n0.289854 0.838879 0.654923 P\n0.710146 0.161120 0.345076 P\n0.838879 0.289854 0.654923 P\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"density": 3.938835230421213,
"density_atomic": 0.058677822045093184,
"volume": 119.29549795867655,
"volume_molar": 10.263061153449184,
"formula_full": "Si2 P4 Rh1",
"formula_reduced": "Si2P4Rh",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.3959617428571427,
"spacegroup": 12
},
{
"id": "jvasp-35187",
"created_at": "2022-09-04T14:37:57.744816Z",
"updated_at": "2022-09-04T14:37:57.744829Z",
"structure_string": "Si2 P4 O14\n1.0\n0.000000 4.338319 0.005386\n7.196219 0.000000 0.000000\n0.000000 -1.510026 -6.156225\nSi P O\n2 4 14\ndirect\n0.500000 0.000000 -0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.886291 0.111676 0.682591 P\n0.113708 0.611676 0.817410 P\n0.113709 0.888324 0.317409 P\n0.886291 0.388324 0.182591 P\n0.188258 0.356499 0.360858 O\n0.811742 0.856499 0.139142 O\n0.811741 0.643501 0.639143 O\n0.188258 0.143501 0.860858 O\n0.735948 0.207033 0.090480 O\n0.264051 0.707033 0.409520 O\n0.648303 0.510832 0.261254 O\n0.735948 0.292967 0.590480 O\n-0.000000 0.000000 0.500000 O\n0.351697 0.010832 0.238746 O\n0.351697 0.489168 0.738746 O\n0.648302 0.989168 0.761254 O\n0.264051 0.792967 0.909520 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 20,
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"elements": [
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"P",
"O"
],
"chemical_system": "O-P-Si",
"density": 3.49208142390335,
"density_atomic": 0.10409309657415347,
"volume": 192.13570023591785,
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"formula_full": "Si2 P4 O14",
"formula_reduced": "SiP2O7",
"formula_anonymous": "AB2C7",
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"spacegroup": 14
},
{
"id": "jvasp-34390",
"created_at": "2022-09-04T14:38:30.622581Z",
"updated_at": "2022-09-04T14:38:30.622609Z",
"structure_string": "Si2 P4 O14\n1.0\n2.369543 -4.104168 0.000000\n2.369543 4.104168 0.000000\n-0.000000 0.000000 12.115354\nSi P O\n2 4 14\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.333332 0.666666 0.879677 P\n0.666666 0.333332 0.120322 P\n0.666666 0.333332 0.379677 P\n0.333332 0.666666 0.620322 P\n0.938587 0.268865 0.413761 O\n0.731133 0.669721 0.413761 O\n0.669721 0.938587 0.586239 O\n0.938587 0.268865 0.086239 O\n0.061412 0.731134 0.913761 O\n0.330278 0.061412 0.413761 O\n0.669721 0.938587 0.913761 O\n0.333332 0.666666 0.750000 O\n0.268866 0.330278 0.913761 O\n0.268866 0.330278 0.586239 O\n0.330278 0.061412 0.086239 O\n0.731133 0.669721 0.086239 O\n0.061412 0.731134 0.586239 O\n0.666666 0.333332 0.250000 O\n",
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"elements": [
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"density": 2.847322112123626,
"density_atomic": 0.08487390172698629,
"volume": 235.64369721488663,
"volume_molar": 7.095397569174337,
"formula_full": "Si2 P4 O14",
"formula_reduced": "SiP2O7",
"formula_anonymous": "AB2C7",
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"spacegroup": 176
},
{
"id": "jvasp-110511",
"created_at": "2022-09-04T14:38:39.240733Z",
"updated_at": "2022-09-04T14:38:39.240743Z",
"structure_string": "Si2 P4 Ir1\n1.0\n4.691424 0.003907 1.596340\n-1.146115 4.549275 1.596340\n0.007531 0.009671 5.611640\nSi P Ir\n2 4 1\ndirect\n0.587538 0.587539 0.137725 Si\n0.412460 0.412460 0.862276 Si\n0.711744 0.160580 0.343314 P\n0.839419 0.288255 0.656687 P\n0.160579 0.711744 0.343314 P\n0.288254 0.839419 0.656687 P\n0.000000 0.000000 0.000000 Ir\n",
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],
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"density": 5.166777061096308,
"density_atomic": 0.05850532609733455,
"volume": 119.64722644830988,
"volume_molar": 10.293320560218815,
"formula_full": "Si2 P4 Ir1",
"formula_reduced": "Si2P4Ir",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.679350042857143,
"spacegroup": 12
},
{
"id": "jvasp-100547",
"created_at": "2022-09-04T14:36:36.151142Z",
"updated_at": "2022-09-04T14:36:36.151163Z",
"structure_string": "Si2 P2 N6\n1.0\n4.700650 0.000000 0.000000\n0.000000 4.579730 2.605149\n0.000000 -0.008586 5.285319\nSi P N\n2 2 6\ndirect\n0.503502 0.326384 0.676924 Si\n0.003502 0.673615 0.323077 Si\n0.495890 0.994021 0.335106 P\n0.995890 0.005978 0.664895 P\n0.858088 0.331967 0.572069 N\n0.842243 0.915716 0.429688 N\n0.358088 0.668032 0.427932 N\n0.342242 0.084283 0.570313 N\n0.933477 0.769539 0.981349 N\n0.433477 0.230460 0.018652 N\n",
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"formula_full": "Si2 P2 N6",
"formula_reduced": "SiPN3",
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}
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}