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{
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"results": [
{
"id": "mp-1047801",
"created_at": "2022-09-04T14:39:06.244784Z",
"structure_string": "Mg2 P6 W6 O26\n1.0\n6.692321 0.000000 0.000000\n0.000000 7.919906 0.000000\n0.000000 1.603582 10.339989\nMg P W O\n2 6 6 26\ndirect\n0.750000 0.396099 0.181595 Mg\n0.250000 0.603901 0.818405 Mg\n0.250000 0.783798 0.508217 P\n0.750000 0.216202 0.491783 P\n0.250000 0.266490 0.765107 P\n0.750000 0.733510 0.234893 P\n0.750000 0.676117 0.896843 P\n0.250000 0.323883 0.103157 P\n0.250000 0.642655 0.206410 W\n0.750000 0.357345 0.793590 W\n0.250000 0.232286 0.434119 W\n0.500000 0.000000 0.000000 W\n0.750000 0.767714 0.565881 W\n0.000000 0.000000 0.000000 W\n0.750000 0.634544 0.754591 O\n0.568653 0.256847 0.397839 O\n0.250000 0.196065 0.639806 O\n0.551744 0.771494 0.910553 O\n0.750000 0.340271 0.592691 O\n0.750000 0.113614 0.897269 O\n0.250000 0.659729 0.407309 O\n0.051744 0.228506 0.089447 O\n0.250000 0.968228 0.436892 O\n0.750000 0.031772 0.563108 O\n0.072779 0.388285 0.784880 O\n0.250000 0.886386 0.102731 O\n0.572779 0.611715 0.215120 O\n0.750000 0.492036 0.977597 O\n0.750000 0.803935 0.360194 O\n0.448256 0.228506 0.089447 O\n0.931347 0.256847 0.397839 O\n0.431347 0.743153 0.602161 O\n0.427221 0.388285 0.784880 O\n0.250000 0.365456 0.245409 O\n0.750000 0.891117 0.123147 O\n0.250000 0.108883 0.876853 O\n0.927221 0.611715 0.215120 O\n0.948256 0.771494 0.910553 O\n0.068653 0.743153 0.602161 O\n0.250000 0.507964 0.022403 O\n",
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],
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"formula_full": "Mg2 P6 W6 O26",
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"formula_anonymous": "AB3C3D13",
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"updated_at": "2021-11-28T01:34:26.331000Z",
"spacegroup": 11
},
{
"id": "mp-23716",
"created_at": "2022-09-04T14:39:05.883125Z",
"structure_string": "Ca4 Mn2 As4 H8 O20\n1.0\n13.167344 0.000000 0.000000\n0.000000 5.791706 0.000000\n0.000000 1.852983 5.658882\nCa Mn As H O\n4 2 4 8 20\ndirect\n0.880003 0.758395 0.568744 Ca\n0.380003 0.741605 0.431256 Ca\n0.119997 0.241605 0.431256 Ca\n0.619997 0.258395 0.568744 Ca\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.877852 0.428746 0.223936 As\n0.377852 0.071254 0.776064 As\n0.122148 0.571254 0.776064 As\n0.622148 0.928746 0.223936 As\n0.710422 0.498585 0.893928 H\n0.210422 0.001415 0.106072 H\n0.289578 0.501415 0.106072 H\n0.789578 0.998585 0.893928 H\n0.655921 0.694922 0.683819 H\n0.155921 0.805078 0.316181 H\n0.344079 0.305078 0.316181 H\n0.844079 0.194922 0.683819 H\n0.643100 0.531659 0.803721 O\n0.143100 0.968341 0.196279 O\n0.961881 0.651260 0.247290 O\n0.461881 0.848740 0.752710 O\n0.038119 0.348740 0.752710 O\n0.538119 0.151260 0.247290 O\n0.945739 0.158248 0.288269 O\n0.445739 0.341752 0.711731 O\n0.054261 0.841752 0.711731 O\n0.554261 0.658248 0.288269 O\n0.825242 0.502098 0.949804 O\n0.325242 0.997902 0.050196 O\n0.174758 0.497902 0.050196 O\n0.674758 0.002098 0.949804 O\n0.793426 0.417376 0.450186 O\n0.293426 0.082624 0.549814 O\n0.206574 0.582624 0.549814 O\n0.706574 0.917376 0.450186 O\n0.856900 0.031659 0.803721 O\n0.356900 0.468341 0.196279 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
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"Mn",
"As",
"H",
"O"
],
"chemical_system": "As-Ca-H-Mn-O",
"density": 3.4550498793785867,
"density_atomic": 0.08805383364692952,
"volume": 431.55418027986195,
"volume_molar": 6.839157945294065,
"formula_full": "Ca4 Mn2 As4 H8 O20",
"formula_reduced": "Ca2MnAs2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -250.86050088,
"energy_per_atom": -6.601592128421053,
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"updated_at": "2021-11-28T01:34:43.786000Z",
"spacegroup": 14
},
{
"id": "mp-21331",
"created_at": "2022-09-04T14:39:06.248611Z",
"structure_string": "K2 Rb1 Gd1 V2 O8\n1.0\n3.034372 -5.255686 0.000000\n3.034372 5.255686 0.000000\n0.000000 0.000000 7.852686\nK Rb Gd V O\n2 1 1 2 8\ndirect\n0.666667 0.333333 0.799826 K\n0.333333 0.666667 0.200174 K\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Gd\n0.666667 0.333333 0.251845 V\n0.333333 0.666667 0.748155 V\n0.824365 0.175635 0.174088 O\n0.824365 0.648731 0.174088 O\n0.351269 0.175635 0.174088 O\n0.648731 0.824365 0.825912 O\n0.175635 0.351269 0.825912 O\n0.175635 0.824365 0.825912 O\n0.333333 0.666667 0.533534 O\n0.666667 0.333333 0.466466 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
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"Rb",
"Gd",
"V",
"O"
],
"chemical_system": "Gd-K-O-Rb-V",
"density": 3.6516633602295614,
"density_atomic": 0.05589610877025434,
"volume": 250.46466217430572,
"volume_molar": 10.773810364425119,
"formula_full": "K2 Rb1 Gd1 V2 O8",
"formula_reduced": "K2RbGdV2O8",
"formula_anonymous": "ABC2D2E8",
"energy": -113.04033522,
"energy_per_atom": -8.074309658571428,
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"updated_at": "2021-11-28T01:34:29.848000Z",
"spacegroup": 164
},
{
"id": "mp-760377",
"created_at": "2022-09-04T14:39:06.258330Z",
"structure_string": "Li2 Nb1 P2 O8\n1.0\n2.470495 -4.279023 0.000000\n2.470495 4.279023 0.000000\n0.000000 0.000000 7.721113\nLi Nb P O\n2 1 2 8\ndirect\n0.333333 0.666667 0.666855 Li\n0.666667 0.333333 0.333145 Li\n0.000000 0.000000 0.000000 Nb\n0.333333 0.666667 0.233261 P\n0.666667 0.333333 0.766739 P\n0.037621 0.675894 0.160930 O\n0.333333 0.666667 0.427027 O\n0.324106 0.361727 0.160930 O\n0.638273 0.962379 0.160930 O\n0.361727 0.037621 0.839070 O\n0.675894 0.638273 0.839070 O\n0.666667 0.333333 0.572973 O\n0.962379 0.324106 0.839070 O\n",
"nsites": 13,
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"elements": [
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"Nb",
"P",
"O"
],
"chemical_system": "Li-Nb-O-P",
"density": 3.018378269861188,
"density_atomic": 0.07963515836413376,
"volume": 163.24447978815053,
"volume_molar": 7.5621633505939805,
"formula_full": "Li2 Nb1 P2 O8",
"formula_reduced": "Li2Nb(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -99.48786023,
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"updated_at": "2021-11-28T01:34:26.419000Z",
"spacegroup": 147
},
{
"id": "mp-1247603",
"created_at": "2022-09-04T14:39:06.060133Z",
"structure_string": "Sr1 Ca7 Ti1 Mn7 O20\n1.0\n7.825378 -0.039943 0.074913\n-0.039943 7.825378 0.074913\n0.074892 0.074892 7.703042\nSr Ca Ti Mn O\n1 7 1 7 20\ndirect\n0.251365 0.251365 0.250000 Sr\n0.274493 0.274493 0.705361 Ca\n0.256429 0.737380 0.265019 Ca\n0.261275 0.730930 0.713465 Ca\n0.737380 0.256429 0.265019 Ca\n0.730930 0.261275 0.713465 Ca\n0.742280 0.742280 0.267977 Ca\n0.736348 0.736348 0.714562 Ca\n0.999624 0.999624 0.999814 Ti\n0.000837 0.000837 0.514425 Mn\n0.998538 0.493914 0.002475 Mn\n0.001249 0.506494 0.492791 Mn\n0.493914 0.998538 0.002475 Mn\n0.506494 0.001249 0.492791 Mn\n0.506612 0.506612 0.994373 Mn\n0.504388 0.504388 0.493856 Mn\n0.944007 0.944007 0.785458 O\n0.018369 0.529785 0.244207 O\n0.995935 0.517833 0.750806 O\n0.529785 0.018369 0.244207 O\n0.517833 0.995935 0.750806 O\n0.509834 0.509834 0.743836 O\n0.216493 0.957822 0.050938 O\n0.250998 0.002720 0.511157 O\n0.254669 0.506920 0.004693 O\n0.260789 0.502730 0.489536 O\n0.758607 0.005690 0.478141 O\n0.749878 0.516908 0.037900 O\n0.746248 0.501610 0.474041 O\n0.957822 0.216493 0.050938 O\n0.002720 0.250998 0.511157 O\n0.005690 0.758607 0.478141 O\n0.506920 0.254669 0.004693 O\n0.502730 0.260789 0.489536 O\n0.516908 0.749878 0.037900 O\n0.501610 0.746248 0.474041 O\n",
"nsites": 36,
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"elements": [
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"Ca",
"Ti",
"Mn",
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],
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"density": 3.9456127968295296,
"density_atomic": 0.07633472841751171,
"volume": 471.6071013326793,
"volume_molar": 7.889123187891608,
"formula_full": "Sr1 Ca7 Ti1 Mn7 O20",
"formula_reduced": "SrCa7TiMn7O20",
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"energy": -279.27768099,
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"spacegroup": 8
},
{
"id": "mp-1290773",
"created_at": "2022-09-04T14:39:06.263549Z",
"structure_string": "Li2 Fe4 C8 O24\n1.0\n-1.993804 -2.134546 -4.606720\n-7.532970 6.472822 -0.860578\n7.571351 4.847917 -4.439178\nLi Fe C O\n2 4 8 24\ndirect\n0.407696 0.357589 0.178442 Li\n0.913391 0.854618 0.679506 Li\n0.359214 0.010545 0.507522 Fe\n0.601850 0.485754 0.487318 Fe\n0.843738 0.511911 0.005839 Fe\n0.105223 0.987725 0.989778 Fe\n0.950012 0.704170 0.918071 C\n0.456745 0.203818 0.419562 C\n0.711374 0.417924 0.704789 C\n0.217420 0.914393 0.206640 C\n0.712994 0.576642 0.293414 C\n0.213954 0.075640 0.791844 C\n0.912020 0.284597 0.075244 C\n0.416532 0.781214 0.573121 C\n0.005589 0.808689 0.870154 O\n0.505053 0.307918 0.368884 O\n0.723829 0.675410 0.915627 O\n0.232472 0.170089 0.413466 O\n0.490187 0.410392 0.645560 O\n0.994340 0.909604 0.152309 O\n0.865991 0.457179 0.632113 O\n0.370089 0.952101 0.130307 O\n0.770965 0.389049 0.821046 O\n0.288475 0.885524 0.321695 O\n0.116471 0.623895 0.968384 O\n0.625625 0.127571 0.473851 O\n0.774028 0.620911 0.192258 O\n0.291212 0.118613 0.693967 O\n0.693747 0.348289 0.071953 O\n0.202054 0.849563 0.573622 O\n0.866511 0.552717 0.393309 O\n0.363160 0.052634 0.896045 O\n0.486152 0.550121 0.305339 O\n0.987537 0.049371 0.798992 O\n0.093646 0.357604 0.063633 O\n0.602787 0.849091 0.558426 O\n0.946386 0.160098 0.089564 O\n0.437057 0.657093 0.588979 O\n",
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"formula_full": "Li2 Fe4 C8 O24",
"formula_reduced": "LiFe2(CO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -294.95861428,
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"spacegroup": 1
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{
"id": "mp-28313",
"created_at": "2022-09-04T14:39:06.270575Z",
"structure_string": "Nd4 Cl8\n1.0\n3.601588 0.000000 0.000000\n0.000000 8.762357 0.000000\n0.000000 0.000000 10.089425\nNd Cl\n4 8\ndirect\n0.250000 0.127637 0.178906 Nd\n0.750000 0.872363 0.821094 Nd\n0.250000 0.372363 0.678906 Nd\n0.750000 0.627637 0.321094 Nd\n0.250000 0.450110 0.161677 Cl\n0.750000 0.549890 0.838323 Cl\n0.250000 0.049890 0.661677 Cl\n0.750000 0.950110 0.338323 Cl\n0.250000 0.832982 0.046953 Cl\n0.750000 0.167018 0.953047 Cl\n0.250000 0.667018 0.546953 Cl\n0.750000 0.332982 0.453047 Cl\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.488125698282933,
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"volume": 318.40610813332427,
"volume_molar": 15.97905335018883,
"formula_full": "Nd4 Cl8",
"formula_reduced": "NdCl2",
"formula_anonymous": "AB2",
"energy": -61.63608056,
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"spacegroup": 62
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{
"id": "mp-1289263",
"created_at": "2022-09-04T14:39:06.279940Z",
"structure_string": "Fe4 Cu2 O8\n1.0\n2.989678 -3.017344 4.266551\n2.989224 3.016734 -4.266659\n2.989067 3.017267 4.266932\nFe Cu O\n4 2 8\ndirect\n0.749986 0.375011 0.874996 Fe\n0.250010 0.375011 0.374998 Fe\n0.750021 0.375016 0.374993 Fe\n0.249992 0.874991 0.374980 Fe\n0.999949 0.003450 0.996566 Cu\n0.500028 0.746695 0.753241 Cu\n0.771370 0.610566 0.618107 O\n0.231500 0.615886 0.615761 O\n0.768590 0.152947 0.615565 O\n0.268710 0.134254 0.134321 O\n0.728502 0.139391 0.132035 O\n0.228521 0.610449 0.160774 O\n0.271626 0.139550 0.589128 O\n0.731195 0.596783 0.134535 O\n",
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"volume": 153.9474632853794,
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"formula_full": "Fe4 Cu2 O8",
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{
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