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{
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{
"id": "mp-1018893",
"created_at": "2022-09-04T14:43:59.561244Z",
"structure_string": "Pr2 Cu2 Sn2\n1.0\n2.293863 -3.973088 0.000000\n2.293863 3.973088 0.000000\n0.000000 0.000000 7.981650\nPr Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
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{
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"structure_string": "Na3 Mn3 Fe3 F18\n1.0\n4.594000 -7.957042 0.000000\n4.594000 7.957042 0.000000\n0.000000 0.000000 5.102986\nNa Mn Fe F\n3 3 3 18\ndirect\n0.626109 0.000000 0.000000 Na\n0.000000 0.626109 0.000000 Na\n0.373891 0.373891 0.000000 Na\n0.297524 0.000000 0.500000 Mn\n0.000000 0.297524 0.500000 Mn\n0.702476 0.702476 0.500000 Mn\n0.333333 0.666667 0.499844 Fe\n0.666667 0.333333 0.500156 Fe\n0.000000 0.000000 0.000000 Fe\n0.130872 0.535691 0.286593 F\n0.464309 0.595181 0.286593 F\n0.535691 0.130872 0.713407 F\n0.404819 0.869128 0.286593 F\n0.595181 0.464309 0.713407 F\n0.869128 0.404819 0.713407 F\n0.104350 0.201531 0.221202 F\n0.798469 0.902819 0.221202 F\n0.201531 0.104350 0.778798 F\n0.097181 0.895650 0.221202 F\n0.902819 0.798469 0.778798 F\n0.895650 0.097181 0.778798 F\n0.458691 0.231286 0.289073 F\n0.768714 0.227405 0.289073 F\n0.231286 0.458691 0.710927 F\n0.772595 0.541309 0.289073 F\n0.227405 0.768714 0.710927 F\n0.541309 0.772595 0.710927 F\n",
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"updated_at": "2021-11-28T01:36:11.454000Z",
"spacegroup": 150
},
{
"id": "mp-556867",
"created_at": "2022-09-04T14:43:59.669441Z",
"structure_string": "K8 Pr4 Zr4 P12 O48\n1.0\n10.633251 0.000000 0.000000\n0.000000 10.633251 0.000000\n0.000000 0.000000 10.633251\nK Pr Zr P O\n8 4 4 12 48\ndirect\n0.071423 0.071423 0.071423 K\n0.928577 0.571423 0.428577 K\n0.428577 0.928577 0.571423 K\n0.202654 0.702654 0.797346 K\n0.797346 0.202654 0.702654 K\n0.571423 0.428577 0.928577 K\n0.702654 0.797346 0.202654 K\n0.297346 0.297346 0.297346 K\n0.924058 0.424058 0.075942 Pr\n0.075942 0.924058 0.424058 Pr\n0.424058 0.075942 0.924058 Pr\n0.575942 0.575942 0.575942 Pr\n0.853418 0.853418 0.853418 Zr\n0.146582 0.353418 0.646582 Zr\n0.353418 0.646582 0.146582 Zr\n0.646582 0.146582 0.353418 Zr\n0.541502 0.751221 0.880707 P\n0.751221 0.880707 0.541502 P\n0.380707 0.958498 0.248779 P\n0.958498 0.248779 0.380707 P\n0.251221 0.619293 0.458498 P\n0.119293 0.041502 0.748779 P\n0.458498 0.251221 0.619293 P\n0.748779 0.119293 0.041502 P\n0.248779 0.380707 0.958498 P\n0.041502 0.748779 0.119293 P\n0.880707 0.541502 0.751221 P\n0.619293 0.458498 0.251221 P\n0.123793 0.338459 0.017785 O\n0.838459 0.482215 0.876207 O\n0.851468 0.219604 0.025356 O\n0.586119 0.316118 0.267725 O\n0.267725 0.586119 0.316118 O\n0.003050 0.474194 0.705971 O\n0.280396 0.974644 0.351468 O\n0.623793 0.161541 0.982215 O\n0.525356 0.648532 0.780396 O\n0.161541 0.982215 0.623793 O\n0.482215 0.876207 0.838459 O\n0.474644 0.148532 0.719604 O\n0.413881 0.816118 0.232275 O\n0.496950 0.525806 0.205971 O\n0.205971 0.496950 0.525806 O\n0.996950 0.974194 0.794029 O\n0.974644 0.351468 0.280396 O\n0.661541 0.517785 0.376207 O\n0.780396 0.525356 0.648532 O\n0.732275 0.086119 0.183882 O\n0.913881 0.683882 0.767725 O\n0.517785 0.376207 0.661541 O\n0.719604 0.474644 0.148532 O\n0.767725 0.913881 0.683882 O\n0.474194 0.705971 0.003050 O\n0.982215 0.623793 0.161541 O\n0.683882 0.767725 0.913881 O\n0.017785 0.123793 0.338459 O\n0.025806 0.294029 0.503050 O\n0.183882 0.732275 0.086119 O\n0.503050 0.025806 0.294029 O\n0.294029 0.503050 0.025806 O\n0.376207 0.661541 0.517785 O\n0.974194 0.794029 0.996950 O\n0.025356 0.851468 0.219604 O\n0.525806 0.205971 0.496950 O\n0.794029 0.996950 0.974194 O\n0.816118 0.232275 0.413881 O\n0.086119 0.183882 0.732275 O\n0.648532 0.780396 0.525356 O\n0.316118 0.267725 0.586119 O\n0.148532 0.719604 0.474644 O\n0.705971 0.003050 0.474194 O\n0.232275 0.413881 0.816118 O\n0.219604 0.025356 0.851468 O\n0.876207 0.838459 0.482215 O\n0.351468 0.280396 0.974644 O\n0.338459 0.017785 0.123793 O\n",
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"elements": [
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"Zr",
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],
"chemical_system": "K-O-P-Pr-Zr",
"density": 3.2885519307973947,
"density_atomic": 0.06321430906803575,
"volume": 1202.2594428455016,
"volume_molar": 9.526546835335244,
"formula_full": "K8 Pr4 Zr4 P12 O48",
"formula_reduced": "K2PrZr(PO4)3",
"formula_anonymous": "ABC2D3E12",
"energy": -603.59774187,
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"updated_at": "2021-11-28T01:36:08.102000Z",
"spacegroup": 198
},
{
"id": "mp-865929",
"created_at": "2022-09-04T14:43:59.838258Z",
"structure_string": "Cd2 Pt1 Rh1\n1.0\n0.000000 3.259478 3.259478\n3.259478 0.000000 3.259478\n3.259478 3.259478 0.000000\nCd Pt Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Rh\n",
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"density": 12.534876847622842,
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"volume": 69.25867168630258,
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"formula_full": "Cd2 Pt1 Rh1",
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"updated_at": "2021-11-28T01:36:28.134000Z",
"spacegroup": 225
},
{
"id": "mp-1187832",
"created_at": "2022-09-04T14:44:00.117808Z",
"structure_string": "Tl2 Zn1 P4 H8 O16\n1.0\n-7.064129 0.000000 0.000000\n-0.158205 -7.388862 0.000000\n2.532429 1.012661 7.299195\nTl Zn P H O\n2 1 4 8 16\ndirect\n0.915168 0.290553 0.798420 Tl\n0.084832 0.709447 0.201580 Tl\n0.500000 0.500000 0.000000 Zn\n0.638461 0.739820 0.724149 P\n0.361539 0.260180 0.275851 P\n0.228069 0.788517 0.739294 P\n0.771931 0.211483 0.260706 P\n0.738327 0.971642 0.952414 H\n0.261673 0.028358 0.047586 H\n0.400696 0.288133 0.669617 H\n0.599304 0.711867 0.330383 H\n0.903963 0.736599 0.567533 H\n0.096037 0.263401 0.432467 H\n0.384593 0.157816 0.813130 H\n0.615407 0.842184 0.186870 H\n0.454957 0.267723 0.799887 O\n0.545043 0.732277 0.200113 O\n0.675988 0.605999 0.863010 O\n0.324012 0.394001 0.136990 O\n0.742042 0.930658 0.820586 O\n0.257958 0.069342 0.179414 O\n0.703769 0.682023 0.558149 O\n0.296231 0.317977 0.441851 O\n0.401113 0.772940 0.641439 O\n0.598887 0.227060 0.358561 O\n0.234603 0.628274 0.843021 O\n0.765397 0.371726 0.156979 O\n0.041925 0.776998 0.559727 O\n0.958075 0.223002 0.440273 O\n0.253484 0.977934 0.851605 O\n0.746516 0.022066 0.148395 O\n",
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"formula_full": "Tl2 Zn1 P4 H8 O16",
"formula_reduced": "Tl2ZnP4(HO2)8",
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"spacegroup": 2
},
{
"id": "mp-850746",
"created_at": "2022-09-04T14:44:00.161860Z",
"structure_string": "Fe8 O6 F10\n1.0\n4.780521 0.000000 0.000000\n-0.082246 7.838755 0.000000\n-0.084951 -1.996199 7.600627\nFe O F\n8 6 10\ndirect\n0.460723 0.633919 0.883915 Fe\n0.494904 0.866158 0.615152 Fe\n0.561675 0.377506 0.129593 Fe\n0.529892 0.146375 0.396666 Fe\n0.987916 0.735587 0.217244 Fe\n0.012996 0.504924 0.504918 Fe\n0.955605 0.237119 0.756716 Fe\n0.009212 0.005656 0.005684 Fe\n0.804228 0.221117 0.971259 O\n0.685209 0.598308 0.088643 O\n0.703422 0.351681 0.355365 O\n0.687836 0.086579 0.597027 O\n0.319227 0.657823 0.653622 O\n0.193386 0.779719 0.029524 O\n0.797262 0.465515 0.734208 F\n0.786738 0.972087 0.234208 F\n0.804354 0.734932 0.459039 F\n0.698964 0.846633 0.842596 F\n0.292559 0.901422 0.397528 F\n0.314433 0.161603 0.166382 F\n0.294715 0.394354 0.896112 F\n0.205532 0.027048 0.765003 F\n0.202984 0.531808 0.262130 F\n0.196228 0.262125 0.537463 F\n",
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{
"id": "mp-850537",
"created_at": "2022-09-04T14:44:00.169280Z",
"structure_string": "Li4 V3 Fe2 Sb3 O16\n1.0\n3.080758 5.332529 0.000000\n-3.080758 5.332529 0.000000\n0.000000 0.050789 9.936832\nLi V Fe Sb O\n4 3 2 3 16\ndirect\n0.664496 0.664496 0.874286 Li\n0.991612 0.991612 0.990518 Li\n0.994551 0.994551 0.505993 Li\n0.327959 0.327959 0.400698 Li\n0.832408 0.832408 0.217006 V\n0.663525 0.170690 0.714214 V\n0.170690 0.663525 0.714214 V\n0.673567 0.673567 0.514178 Fe\n0.344387 0.344387 0.977407 Fe\n0.831578 0.337808 0.216090 Sb\n0.337808 0.831578 0.216090 Sb\n0.170923 0.170923 0.715019 Sb\n0.849592 0.315602 0.601156 O\n0.512525 0.512525 0.329760 O\n0.663308 0.663308 0.103305 O\n0.003844 0.003844 0.320566 O\n0.005901 0.005901 0.813382 O\n0.315602 0.849592 0.601156 O\n0.965759 0.512657 0.325477 O\n0.512657 0.965759 0.325477 O\n0.155778 0.155778 0.103730 O\n0.845435 0.845435 0.609638 O\n0.479377 0.033249 0.832794 O\n0.033249 0.479377 0.832794 O\n0.328600 0.328600 0.601443 O\n0.693428 0.159344 0.109981 O\n0.482118 0.482118 0.831366 O\n0.159344 0.693428 0.109981 O\n",
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"volume": 326.4891505003976,
"volume_molar": 7.022012931879353,
"formula_full": "Li4 V3 Fe2 Sb3 O16",
"formula_reduced": "Li4V3Fe2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
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"spacegroup": 8
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{
"id": "mp-1519387",
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"structure_string": "Ba1 Sr1 Eu1 Sb1 O6\n1.0\n0.000000 -4.281908 -4.281908\n4.281908 0.000000 -4.281908\n4.281908 -4.281908 0.000000\nBa Sr Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Sb\n0.734758 0.265242 0.265242 O\n0.265242 0.734758 0.734758 O\n0.734758 0.265242 0.734758 O\n0.265242 0.734758 0.265242 O\n0.734758 0.734758 0.265242 O\n0.265242 0.265242 0.734758 O\n",
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"formula_full": "Ba1 Sr1 Eu1 Sb1 O6",
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{
"id": "mp-632490",
"created_at": "2022-09-04T14:43:59.589105Z",
"structure_string": "Eu8 Sn4 S16\n1.0\n7.520731 0.000000 0.000000\n0.000000 8.817388 0.000000\n0.000000 0.000000 11.284080\nEu Sn S\n8 4 16\ndirect\n0.880447 0.994865 0.310377 Eu\n0.619553 0.505135 0.810377 Eu\n0.119553 0.494865 0.689623 Eu\n0.380447 0.005135 0.189623 Eu\n0.119553 0.005135 0.689623 Eu\n0.380447 0.494865 0.189623 Eu\n0.880447 0.505135 0.310377 Eu\n0.619553 0.994865 0.810377 Eu\n0.890325 0.250000 0.030131 Sn\n0.609675 0.250000 0.530131 Sn\n0.109675 0.750000 0.969869 Sn\n0.390325 0.750000 0.469869 Sn\n0.103395 0.250000 0.198355 S\n0.396605 0.250000 0.698355 S\n0.896605 0.750000 0.801645 S\n0.603395 0.750000 0.301645 S\n0.901353 0.250000 0.811124 S\n0.598647 0.250000 0.311124 S\n0.098647 0.750000 0.188876 S\n0.401353 0.750000 0.688876 S\n0.725979 0.014463 0.063572 S\n0.774021 0.485537 0.563572 S\n0.274021 0.514463 0.936428 S\n0.225979 0.985537 0.436428 S\n0.274021 0.985537 0.936428 S\n0.225979 0.514463 0.436428 S\n0.725979 0.485537 0.063572 S\n0.774021 0.014463 0.563572 S\n",
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"formula_full": "Eu8 Sn4 S16",
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