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{
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"results": [
{
"id": "mp-975614",
"created_at": "2022-09-04T14:39:13.894150Z",
"structure_string": "Nd6 Al2 Ni2 S14\n1.0\n5.007444 -8.673147 0.000000\n5.007444 8.673147 0.000000\n0.000000 0.000000 6.021386\nNd Al Ni S\n6 2 2 14\ndirect\n0.140439 0.372222 0.229120 Nd\n0.859561 0.627778 0.729120 Nd\n0.627778 0.768217 0.229120 Nd\n0.231783 0.859561 0.229120 Nd\n0.768217 0.140439 0.729120 Nd\n0.372222 0.231783 0.729120 Nd\n0.333333 0.666667 0.652111 Al\n0.666667 0.333333 0.152111 Al\n0.000000 0.000000 0.004153 Ni\n0.000000 0.000000 0.504153 Ni\n0.333333 0.666667 0.021286 S\n0.666667 0.333333 0.521286 S\n0.420001 0.517577 0.503541 S\n0.579999 0.482423 0.003541 S\n0.482423 0.902424 0.503541 S\n0.097576 0.579999 0.503541 S\n0.902424 0.420001 0.003541 S\n0.517577 0.097576 0.003541 S\n0.087026 0.227717 0.768809 S\n0.912974 0.772283 0.268809 S\n0.772283 0.859309 0.768809 S\n0.140691 0.912974 0.768809 S\n0.859309 0.087026 0.268809 S\n0.227717 0.140691 0.268809 S\n",
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{
"id": "mp-1215158",
"created_at": "2022-09-04T14:39:13.815076Z",
"structure_string": "Al12 Ga1 S4 O66\n1.0\n0.000000 7.778432 7.778432\n7.778432 0.000000 7.778432\n7.778432 7.778432 0.000000\nAl Ga S O\n12 1 4 66\ndirect\n0.703208 0.703208 0.427479 Al\n0.703208 0.703208 0.166106 Al\n0.427479 0.166106 0.703208 Al\n0.427479 0.703208 0.703208 Al\n0.166106 0.427479 0.703208 Al\n0.166106 0.703208 0.703208 Al\n0.703208 0.427479 0.166106 Al\n0.703208 0.166106 0.427479 Al\n0.703208 0.427479 0.703208 Al\n0.166106 0.703208 0.427479 Al\n0.427479 0.703208 0.166106 Al\n0.703208 0.166106 0.703208 Al\n0.500000 0.500000 0.500000 Ga\n0.135446 0.135446 0.135446 S\n0.135446 0.135446 0.593663 S\n0.135446 0.593663 0.135446 S\n0.593663 0.135446 0.135446 S\n0.189094 0.189094 0.189094 O\n0.189094 0.189094 0.432718 O\n0.189094 0.432718 0.189094 O\n0.432718 0.189094 0.189094 O\n0.818567 0.818567 0.280488 O\n0.818567 0.818567 0.082378 O\n0.280488 0.082378 0.818567 O\n0.280488 0.818567 0.818567 O\n0.082378 0.280488 0.818567 O\n0.082378 0.818567 0.818567 O\n0.818567 0.280488 0.082378 O\n0.818567 0.082378 0.280488 O\n0.818567 0.280488 0.818567 O\n0.082378 0.818567 0.280488 O\n0.280488 0.818567 0.082378 O\n0.818567 0.082378 0.818567 O\n0.042524 0.042524 0.262894 O\n0.042524 0.042524 0.652058 O\n0.262894 0.652058 0.042524 O\n0.262894 0.042524 0.042524 O\n0.652058 0.262894 0.042524 O\n0.652058 0.042524 0.042524 O\n0.042524 0.262894 0.652058 O\n0.042524 0.652058 0.262894 O\n0.042524 0.262894 0.042524 O\n0.652058 0.042524 0.262894 O\n0.262894 0.042524 0.652058 O\n0.042524 0.652058 0.042524 O\n0.577287 0.577287 0.577287 O\n0.577287 0.577287 0.268138 O\n0.577287 0.268138 0.577287 O\n0.268138 0.577287 0.577287 O\n0.523412 0.976588 0.976588 O\n0.976588 0.523412 0.523412 O\n0.976588 0.523412 0.976588 O\n0.523412 0.976588 0.523412 O\n0.976588 0.976588 0.523412 O\n0.523412 0.523412 0.976588 O\n0.391280 0.391280 0.391280 O\n0.391280 0.391280 0.826161 O\n0.391280 0.826161 0.391280 O\n0.826161 0.391280 0.391280 O\n0.311374 0.311374 0.803192 O\n0.311374 0.311374 0.574059 O\n0.803192 0.574059 0.311374 O\n0.803192 0.311374 0.311374 O\n0.574059 0.803192 0.311374 O\n0.574059 0.311374 0.311374 O\n0.311374 0.803192 0.574059 O\n0.311374 0.574059 0.803192 O\n0.311374 0.803192 0.311374 O\n0.574059 0.311374 0.803192 O\n0.803192 0.311374 0.574059 O\n0.311374 0.574059 0.311374 O\n0.575088 0.575088 0.815957 O\n0.575088 0.575088 0.033867 O\n0.815957 0.033867 0.575088 O\n0.815957 0.575088 0.575088 O\n0.033867 0.815957 0.575088 O\n0.033867 0.575088 0.575088 O\n0.575088 0.815957 0.033867 O\n0.575088 0.033867 0.815957 O\n0.575088 0.815957 0.575088 O\n0.033867 0.575088 0.815957 O\n0.815957 0.575088 0.033867 O\n0.575088 0.033867 0.575088 O\n",
"nsites": 83,
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"elements": [
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"O"
],
"chemical_system": "Al-Ga-O-S",
"density": 2.7833855442498137,
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"volume": 941.252567573658,
"volume_molar": 6.8293439188433505,
"formula_full": "Al12 Ga1 S4 O66",
"formula_reduced": "Al12Ga(S2O33)2",
"formula_anonymous": "AB4C12D66",
"energy": -444.98209858,
"energy_per_atom": -5.361230103373494,
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"updated_at": "2021-11-28T01:34:27.279000Z",
"spacegroup": 216
},
{
"id": "mp-1180444",
"created_at": "2022-09-04T14:39:13.049977Z",
"structure_string": "Mg1 Sn1 O6\n1.0\n0.000000 4.084388 4.084388\n4.084388 0.000000 4.084388\n4.084388 4.084388 0.000000\nMg Sn O\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n0.252921 0.252921 0.747079 O\n0.747079 0.747079 0.252921 O\n0.252921 0.747079 0.747079 O\n0.747079 0.252921 0.252921 O\n0.747079 0.252921 0.747079 O\n0.252921 0.747079 0.252921 O\n",
"nsites": 8,
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],
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"density": 2.912438362232594,
"density_atomic": 0.05870553045837877,
"volume": 136.27336193941497,
"volume_molar": 10.258217092969796,
"formula_full": "Mg1 Sn1 O6",
"formula_reduced": "MgSnO6",
"formula_anonymous": "ABC6",
"energy": -41.89760124,
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"updated_at": "2021-11-28T01:34:29.522000Z",
"spacegroup": 225
},
{
"id": "mp-646720",
"created_at": "2022-09-04T14:39:12.247522Z",
"structure_string": "V16 Cu8 P16 O80\n1.0\n7.457313 0.000000 0.000000\n0.000000 12.778641 0.000000\n0.000000 0.000000 14.732969\nV Cu P O\n16 8 16 80\ndirect\n0.714646 0.253682 0.487835 V\n0.527685 0.981461 0.736226 V\n0.285354 0.753682 0.012165 V\n0.972315 0.018539 0.236226 V\n0.027685 0.518539 0.263774 V\n0.972315 0.481461 0.736226 V\n0.785354 0.753682 0.487835 V\n0.472315 0.018539 0.263774 V\n0.527685 0.518539 0.236226 V\n0.714646 0.246318 0.987835 V\n0.472315 0.481461 0.763774 V\n0.027685 0.981461 0.763774 V\n0.785354 0.746318 0.987835 V\n0.214646 0.253682 0.012165 V\n0.214646 0.246318 0.512165 V\n0.285354 0.746318 0.512165 V\n0.874806 0.118979 0.627247 Cu\n0.625194 0.881021 0.127247 Cu\n0.874806 0.381021 0.127247 Cu\n0.374806 0.118979 0.872753 Cu\n0.374806 0.381021 0.372753 Cu\n0.125194 0.881021 0.372753 Cu\n0.125194 0.618979 0.872753 Cu\n0.625194 0.618979 0.627247 Cu\n0.736252 0.501997 0.436114 P\n0.263748 0.001997 0.063886 P\n0.999926 0.739064 0.686897 P\n0.499926 0.739064 0.813103 P\n0.500074 0.239064 0.686897 P\n0.499926 0.760936 0.313103 P\n0.236252 0.501997 0.063886 P\n0.263748 0.498003 0.563886 P\n0.000074 0.260936 0.313103 P\n0.736252 0.998003 0.936114 P\n0.236252 0.998003 0.563886 P\n0.000074 0.239064 0.813103 P\n0.763748 0.498003 0.936114 P\n0.999926 0.760936 0.186897 P\n0.763748 0.001997 0.436114 P\n0.500074 0.260936 0.186897 P\n0.253947 0.489302 0.793609 O\n0.430848 0.499963 0.628374 O\n0.267704 0.905085 0.002787 O\n0.330617 0.769123 0.374700 O\n0.504091 0.753870 0.542666 O\n0.930848 0.499963 0.871626 O\n0.004091 0.753870 0.957334 O\n0.495909 0.246130 0.457334 O\n0.330617 0.730877 0.874700 O\n0.276123 0.098356 0.999290 O\n0.488255 0.832964 0.748359 O\n0.504091 0.746130 0.042666 O\n0.488255 0.667036 0.248359 O\n0.169823 0.745170 0.628451 O\n0.988255 0.667036 0.251641 O\n0.509150 0.860014 0.251106 O\n0.746053 0.510698 0.206391 O\n0.988255 0.832964 0.751641 O\n0.767704 0.594915 0.997213 O\n0.330177 0.254830 0.128451 O\n0.232296 0.405085 0.002787 O\n0.232296 0.094915 0.502787 O\n0.223877 0.901644 0.499290 O\n0.590948 0.487668 0.880266 O\n0.509150 0.639986 0.751106 O\n0.746053 0.989302 0.706391 O\n0.569152 0.999963 0.871626 O\n0.009150 0.860014 0.248894 O\n0.669823 0.754830 0.371549 O\n0.569152 0.500037 0.371626 O\n0.590948 0.012332 0.380266 O\n0.490850 0.139986 0.748894 O\n0.169383 0.269123 0.374700 O\n0.004091 0.746130 0.457334 O\n0.990850 0.139986 0.751106 O\n0.767704 0.905085 0.497213 O\n0.909052 0.987668 0.880266 O\n0.776123 0.401644 0.000710 O\n0.732296 0.405085 0.497213 O\n0.330177 0.245170 0.628451 O\n0.069152 0.999963 0.628374 O\n0.732296 0.094915 0.997213 O\n0.246053 0.510698 0.293609 O\n0.169383 0.230877 0.874700 O\n0.069152 0.500037 0.128374 O\n0.830177 0.254830 0.371549 O\n0.995909 0.246130 0.042666 O\n0.430848 0.000037 0.128374 O\n0.830617 0.769123 0.125300 O\n0.009150 0.639986 0.748894 O\n0.409052 0.987668 0.619734 O\n0.753947 0.489302 0.706391 O\n0.246053 0.989302 0.793609 O\n0.267704 0.594915 0.502787 O\n0.669383 0.269123 0.125300 O\n0.011745 0.167036 0.248359 O\n0.511745 0.167036 0.251641 O\n0.990850 0.360014 0.251106 O\n0.830617 0.730877 0.625300 O\n0.995909 0.253870 0.542666 O\n0.669823 0.745170 0.871549 O\n0.753947 0.010698 0.206391 O\n0.409052 0.512332 0.119734 O\n0.495909 0.253870 0.957334 O\n0.511745 0.332964 0.751641 O\n0.669383 0.230877 0.625300 O\n0.090948 0.487668 0.619734 O\n0.011745 0.332964 0.748359 O\n0.223877 0.598356 0.999290 O\n0.930848 0.000037 0.371626 O\n0.723877 0.598356 0.500710 O\n0.830177 0.245170 0.871549 O\n0.723877 0.901644 0.000710 O\n0.909052 0.512332 0.380266 O\n0.276123 0.401644 0.499290 O\n0.090948 0.012332 0.119734 O\n0.169823 0.754830 0.128451 O\n0.490850 0.360014 0.248894 O\n0.776123 0.098356 0.500710 O\n0.253947 0.010698 0.293609 O\n",
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"formula_full": "V16 Cu8 P16 O80",
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"updated_at": "2021-11-28T01:34:32.728000Z",
"spacegroup": 61
},
{
"id": "mp-1104240",
"created_at": "2022-09-04T14:39:13.054971Z",
"structure_string": "Y3 Ga9 Pt2\n1.0\n-2.141201 4.856213 6.276800\n2.141201 -4.856213 6.276800\n2.141201 4.856213 -6.276800\nY Ga Pt\n3 9 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.304558 0.304558 0.000000 Y\n0.695442 0.695442 0.000000 Y\n0.500000 0.000000 0.500000 Ga\n0.974478 0.343510 0.630968 Ga\n0.025522 0.656490 0.369032 Ga\n0.712542 0.343510 0.369032 Ga\n0.287458 0.656490 0.630968 Ga\n0.855969 0.138150 0.717820 Ga\n0.144031 0.861850 0.282180 Ga\n0.420330 0.138150 0.282180 Ga\n0.579670 0.861850 0.717820 Ga\n0.306680 0.500000 0.806680 Pt\n0.693320 0.500000 0.193320 Pt\n",
"nsites": 14,
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"elements": [
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],
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"density": 8.169461462017802,
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"volume": 261.0678826310554,
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"formula_full": "Y3 Ga9 Pt2",
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"updated_at": "2021-11-28T01:34:32.996000Z",
"spacegroup": 71
},
{
"id": "mp-1026681",
"created_at": "2022-09-04T14:39:21.051551Z",
"structure_string": "Na1 Mg14 Mo1\n1.0\n6.347867 -0.102830 0.000000\n-3.262987 5.651659 0.000000\n0.000000 0.000000 10.021244\nNa Mg Mo\n1 14 1\ndirect\n0.167513 0.333756 0.125000 Na\n0.171439 0.335719 0.625000 Mg\n0.168071 0.834035 0.625000 Mg\n0.667407 0.334354 0.125000 Mg\n0.666435 0.336446 0.625000 Mg\n0.667407 0.833051 0.125000 Mg\n0.666435 0.829987 0.625000 Mg\n0.325687 0.151093 0.366938 Mg\n0.325687 0.151093 0.883062 Mg\n0.325687 0.674594 0.366938 Mg\n0.325687 0.674594 0.883062 Mg\n0.826785 0.163393 0.379508 Mg\n0.826785 0.163393 0.870492 Mg\n0.844008 0.672004 0.363878 Mg\n0.844008 0.672004 0.886122 Mg\n0.180961 0.840480 0.125000 Mo\n",
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},
{
"id": "mp-21598",
"created_at": "2022-09-04T14:39:13.057062Z",
"structure_string": "Si8 Ni16 As8\n1.0\n5.136201 0.000000 0.000000\n0.000000 6.008896 0.000000\n0.000000 0.000000 13.888477\nSi Ni As\n8 16 8\ndirect\n0.819950 0.932524 0.057193 Si\n0.819950 0.432524 0.442807 Si\n0.319950 0.567476 0.057193 Si\n0.680050 0.932524 0.557193 Si\n0.180050 0.067476 0.942807 Si\n0.180050 0.567476 0.557193 Si\n0.680050 0.432524 0.942807 Si\n0.319950 0.067476 0.442807 Si\n0.015955 0.695326 0.165827 Ni\n0.484045 0.195326 0.834173 Ni\n0.515955 0.304674 0.334173 Ni\n0.990250 0.806822 0.443750 Ni\n0.015955 0.195326 0.334173 Ni\n0.515955 0.804674 0.165827 Ni\n0.484045 0.695326 0.665827 Ni\n0.984045 0.304674 0.834173 Ni\n0.009750 0.193178 0.556250 Ni\n0.990250 0.306822 0.056250 Ni\n0.490250 0.693178 0.443750 Ni\n0.509750 0.806822 0.943750 Ni\n0.490250 0.193178 0.056250 Ni\n0.009750 0.693178 0.943750 Ni\n0.509750 0.306822 0.556250 Ni\n0.984045 0.804674 0.665827 Ni\n0.683808 0.930095 0.316808 As\n0.183808 0.069905 0.183192 As\n0.816192 0.430095 0.683192 As\n0.316192 0.569905 0.816808 As\n0.316192 0.069905 0.683192 As\n0.816192 0.930095 0.816808 As\n0.183808 0.569905 0.316808 As\n0.683808 0.430095 0.183192 As\n",
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