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{
"id": "mp-1195849",
"created_at": "2022-09-04T14:45:38.924870Z",
"structure_string": "Na8 Zn12 P16 O48\n1.0\n8.520126 0.000000 0.000000\n0.000000 12.472767 0.000000\n0.000000 0.000000 12.931017\nNa Zn P O\n8 12 16 48\ndirect\n0.270649 0.963852 0.931632 Na\n0.770649 0.536148 0.568368 Na\n0.729351 0.463852 0.068368 Na\n0.229351 0.036148 0.431632 Na\n0.729351 0.036148 0.068368 Na\n0.229351 0.463852 0.431632 Na\n0.270649 0.536148 0.931632 Na\n0.770649 0.963852 0.568368 Na\n0.425235 0.250000 0.932431 Zn\n0.925235 0.250000 0.567569 Zn\n0.574765 0.750000 0.067569 Zn\n0.074765 0.750000 0.432431 Zn\n0.086743 0.430634 0.162291 Zn\n0.586743 0.069366 0.337709 Zn\n0.913257 0.930634 0.837709 Zn\n0.413257 0.569366 0.662291 Zn\n0.913257 0.569366 0.837709 Zn\n0.413257 0.930634 0.662291 Zn\n0.086743 0.069366 0.162291 Zn\n0.586743 0.430634 0.337709 Zn\n0.032555 0.250000 0.994637 P\n0.532555 0.250000 0.505363 P\n0.967445 0.750000 0.005363 P\n0.467445 0.750000 0.494637 P\n0.559490 0.250000 0.163541 P\n0.059490 0.250000 0.336459 P\n0.440510 0.750000 0.836459 P\n0.940510 0.750000 0.663541 P\n0.620751 0.078243 0.808377 P\n0.120751 0.421757 0.691623 P\n0.379249 0.578243 0.191623 P\n0.879249 0.921757 0.308377 P\n0.379249 0.921757 0.191623 P\n0.879249 0.578243 0.308377 P\n0.620751 0.421757 0.808377 P\n0.120751 0.078243 0.691623 P\n0.465114 0.111372 0.863147 O\n0.965114 0.388628 0.636853 O\n0.534886 0.611372 0.136853 O\n0.034886 0.888628 0.363147 O\n0.534886 0.888628 0.136853 O\n0.034886 0.611372 0.363147 O\n0.465114 0.388628 0.863147 O\n0.965114 0.111372 0.636853 O\n0.582401 0.250000 0.044796 O\n0.082401 0.250000 0.455204 O\n0.417599 0.750000 0.955204 O\n0.917599 0.750000 0.544796 O\n0.210934 0.250000 0.978018 O\n0.710934 0.250000 0.521982 O\n0.789066 0.750000 0.021982 O\n0.289066 0.750000 0.478018 O\n0.909418 0.527309 0.201054 O\n0.409418 0.972691 0.298946 O\n0.090582 0.027309 0.798946 O\n0.590582 0.472691 0.701054 O\n0.090582 0.472691 0.798946 O\n0.590582 0.027309 0.701054 O\n0.909418 0.972691 0.201054 O\n0.409418 0.527309 0.298946 O\n0.977340 0.354395 0.050081 O\n0.477340 0.145605 0.449919 O\n0.022660 0.854395 0.949919 O\n0.522660 0.645605 0.550081 O\n0.022660 0.645605 0.949919 O\n0.522660 0.854395 0.550081 O\n0.977340 0.145605 0.050081 O\n0.477340 0.354395 0.449919 O\n0.280322 0.504768 0.117827 O\n0.780322 0.995232 0.382173 O\n0.719678 0.004768 0.882173 O\n0.219678 0.495232 0.617827 O\n0.719678 0.495232 0.882173 O\n0.219678 0.004768 0.617827 O\n0.280322 0.995232 0.117827 O\n0.780322 0.504768 0.382173 O\n0.633211 0.353807 0.209313 O\n0.133211 0.146193 0.290687 O\n0.366789 0.853807 0.790687 O\n0.866789 0.646193 0.709313 O\n0.366789 0.646193 0.790687 O\n0.866789 0.853807 0.709313 O\n0.633211 0.146193 0.209313 O\n0.133211 0.353807 0.290687 O\n",
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"formula_full": "Na8 Zn12 P16 O48",
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"updated_at": "2021-11-28T01:37:07.931000Z",
"spacegroup": 62
},
{
"id": "mp-1212769",
"created_at": "2022-09-04T14:45:55.343550Z",
"structure_string": "Fe4 P4 H8 O16\n1.0\n9.433358 0.000000 0.000000\n0.000000 5.333947 0.000000\n0.000000 5.059547 9.365793\nFe P H O\n4 4 8 16\ndirect\n0.312910 0.915723 0.161213 Fe\n0.687090 0.084277 0.838787 Fe\n0.812910 0.084277 0.338787 Fe\n0.187090 0.915723 0.661213 Fe\n0.652990 0.729556 0.186607 P\n0.347010 0.270444 0.813393 P\n0.152990 0.270444 0.313393 P\n0.847010 0.729556 0.686607 P\n0.873976 0.336646 0.061526 H\n0.126024 0.663354 0.938474 H\n0.373976 0.663354 0.438474 H\n0.626024 0.336646 0.561526 H\n0.920592 0.876254 0.312435 H\n0.079408 0.123746 0.687565 H\n0.420592 0.123746 0.187565 H\n0.579408 0.876254 0.812435 H\n0.692997 0.924174 0.252392 O\n0.307003 0.075826 0.747608 O\n0.192997 0.075826 0.247608 O\n0.807003 0.924174 0.752392 O\n0.488613 0.730762 0.175627 O\n0.511387 0.269238 0.824373 O\n0.988613 0.269238 0.324373 O\n0.011387 0.730762 0.675627 O\n0.700157 0.421944 0.281756 O\n0.299843 0.578056 0.718244 O\n0.200157 0.578056 0.218244 O\n0.799843 0.421944 0.781756 O\n0.719338 0.847259 0.036283 O\n0.280662 0.152741 0.963717 O\n0.219338 0.152741 0.463717 O\n0.780662 0.847259 0.536283 O\n",
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],
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"density_atomic": 0.06790322652482966,
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"formula_full": "Fe4 P4 H8 O16",
"formula_reduced": "FeP(HO2)2",
"formula_anonymous": "ABC2D4",
"energy": -200.2736179,
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"updated_at": "2021-11-28T01:37:07.108000Z",
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{
"id": "mp-1199524",
"created_at": "2022-09-04T14:45:42.948315Z",
"structure_string": "Mn4 C8 O24\n1.0\n5.279294 0.000000 0.000000\n0.000000 6.138274 0.000000\n0.000000 0.000000 13.683865\nMn C O\n4 8 24\ndirect\n0.940682 0.319307 0.831152 Mn\n0.059318 0.819307 0.668848 Mn\n0.440682 0.180693 0.168848 Mn\n0.559318 0.680693 0.331152 Mn\n0.906739 0.796584 0.881540 C\n0.093261 0.296584 0.618460 C\n0.406739 0.703416 0.118460 C\n0.593261 0.203416 0.381540 C\n0.872938 0.652413 0.975159 C\n0.127062 0.152413 0.524841 C\n0.372938 0.847587 0.024841 C\n0.627062 0.347587 0.475159 C\n0.956312 0.686527 0.802229 O\n0.043688 0.186527 0.697771 O\n0.456312 0.813473 0.197771 O\n0.543688 0.313473 0.302229 O\n0.860590 0.446210 0.959918 O\n0.139410 0.946210 0.540082 O\n0.360590 0.053790 0.040082 O\n0.639410 0.553790 0.459918 O\n0.862784 0.738665 0.056772 O\n0.137216 0.238665 0.443228 O\n0.362784 0.761335 0.943228 O\n0.637216 0.261335 0.556772 O\n0.884270 0.997428 0.887090 O\n0.115730 0.497428 0.612910 O\n0.384270 0.502572 0.112910 O\n0.615730 0.002572 0.387090 O\n0.363399 0.329854 0.864475 O\n0.636601 0.829854 0.635525 O\n0.863399 0.170146 0.135525 O\n0.136601 0.670146 0.364475 O\n0.524166 0.350547 0.794978 O\n0.475834 0.850547 0.705022 O\n0.024166 0.149453 0.205022 O\n0.975834 0.649453 0.294978 O\n",
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"density": 2.620635653412525,
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"volume": 443.435950623972,
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"formula_full": "Mn4 C8 O24",
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"formula_anonymous": "AB2C6",
"energy": -266.75515623,
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},
{
"id": "mp-1175254",
"created_at": "2022-09-04T14:45:39.037390Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.960577 0.000000 0.000000\n0.363674 5.981506 0.000000\n0.377366 2.903796 12.255201\nLi Mn Co O\n7 4 1 12\ndirect\n0.002231 0.488417 0.011064 Li\n0.499239 0.329879 0.834514 Li\n0.499322 0.666522 0.166376 Li\n0.997175 0.842263 0.324638 Li\n0.501768 0.003226 0.499635 Li\n0.999951 0.169046 0.664555 Li\n0.500096 0.167323 0.167729 Li\n0.003989 0.004156 0.008568 Mn\n0.996626 0.330611 0.327158 Mn\n0.504874 0.837112 0.833254 Mn\n0.999782 0.663964 0.664277 Mn\n0.490633 0.495336 0.498756 Co\n0.482368 0.219677 0.000749 O\n0.036456 0.071443 0.841696 O\n0.003754 0.414761 0.179310 O\n0.478106 0.551473 0.340365 O\n0.030852 0.733252 0.502322 O\n0.535455 0.906559 0.671036 O\n0.521252 0.781022 0.995744 O\n0.967114 0.594364 0.828363 O\n0.995803 0.919993 0.155699 O\n0.518559 0.114821 0.334570 O\n0.966259 0.268957 0.491910 O\n0.468334 0.425821 0.657714 O\n",
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{
"id": "mp-1332980",
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"structure_string": "Nb4 Co4 O18\n1.0\n2.440220 -4.226585 0.000000\n2.440220 4.226585 0.000000\n0.000000 0.000000 14.237092\nNb Co O\n4 4 18\ndirect\n0.000000 0.000000 0.659312 Nb\n0.000000 0.000000 0.159312 Nb\n0.000000 0.000000 0.840688 Nb\n0.000000 0.000000 0.340688 Nb\n0.333333 0.666667 0.000000 Co\n0.333333 0.666667 0.500000 Co\n0.666667 0.333333 0.000000 Co\n0.666667 0.333333 0.500000 Co\n0.647689 0.647689 0.574295 O\n0.000000 0.701506 0.750000 O\n0.647689 0.000000 0.425705 O\n0.352311 0.352311 0.425705 O\n0.000000 0.352311 0.574295 O\n0.701506 0.701506 0.250000 O\n0.000000 0.352311 0.925705 O\n0.352311 0.000000 0.574295 O\n0.352311 0.352311 0.074295 O\n0.000000 0.647689 0.425705 O\n0.647689 0.647689 0.925705 O\n0.647689 0.000000 0.074295 O\n0.701506 0.000000 0.750000 O\n0.298494 0.298494 0.750000 O\n0.298494 0.000000 0.250000 O\n0.000000 0.647689 0.074295 O\n0.000000 0.298494 0.250000 O\n0.352311 0.000000 0.925705 O\n",
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{
"id": "mp-1196307",
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"structure_string": "Fe4 Se12 O32\n1.0\n13.402087 0.000000 0.000000\n0.000000 7.515423 0.000000\n0.000000 7.151319 7.779905\nFe Se O\n4 12 32\ndirect\n0.180585 0.870380 0.939639 Fe\n0.680585 0.129620 0.560361 Fe\n0.819415 0.129620 0.060361 Fe\n0.319415 0.870380 0.439639 Fe\n0.364225 0.006715 0.068303 Se\n0.864225 0.993285 0.431697 Se\n0.635775 0.993285 0.931697 Se\n0.135775 0.006715 0.568303 Se\n0.200580 0.334151 0.054407 Se\n0.700580 0.665849 0.445593 Se\n0.799420 0.665849 0.945593 Se\n0.299420 0.334151 0.554407 Se\n0.999286 0.668696 0.238543 Se\n0.499286 0.331304 0.261457 Se\n0.000714 0.331304 0.761457 Se\n0.500714 0.668696 0.738543 Se\n0.400403 0.897474 0.264759 O\n0.900403 0.102526 0.235241 O\n0.599597 0.102526 0.735241 O\n0.099597 0.897474 0.764759 O\n0.257240 0.847364 0.115504 O\n0.757240 0.152636 0.384496 O\n0.742760 0.152636 0.884496 O\n0.242760 0.847364 0.615504 O\n0.313443 0.302742 0.970104 O\n0.813443 0.697258 0.529896 O\n0.686557 0.697258 0.029896 O\n0.186557 0.302742 0.470104 O\n0.209287 0.089113 0.269997 O\n0.709287 0.910887 0.230003 O\n0.790713 0.910887 0.730003 O\n0.290713 0.089113 0.769997 O\n0.247625 0.567096 0.026827 O\n0.747625 0.432904 0.473173 O\n0.752375 0.432904 0.973173 O\n0.252375 0.567096 0.526827 O\n0.898332 0.844745 0.113524 O\n0.398332 0.155255 0.386476 O\n0.101668 0.155255 0.886476 O\n0.601668 0.844745 0.613524 O\n0.068302 0.645704 0.114082 O\n0.568302 0.354296 0.385918 O\n0.931698 0.354296 0.885918 O\n0.431698 0.645704 0.614082 O\n0.962177 0.391483 0.409094 O\n0.462177 0.608517 0.090906 O\n0.037823 0.608517 0.590906 O\n0.537823 0.391483 0.909094 O\n",
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"formula_full": "Fe4 Se12 O32",
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{
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"structure_string": "U6 Cu6 Sb8\n1.0\n-4.732190 4.732190 4.732190\n4.732190 -4.732190 4.732190\n4.732190 4.732190 -4.732190\nU Cu Sb\n6 6 8\ndirect\n0.875000 0.250000 0.125000 U\n0.625000 0.750000 0.375000 U\n0.250000 0.125000 0.875000 U\n0.750000 0.375000 0.625000 U\n0.125000 0.875000 0.250000 U\n0.375000 0.625000 0.750000 U\n0.375000 0.250000 0.625000 Cu\n0.125000 0.750000 0.875000 Cu\n0.250000 0.625000 0.375000 Cu\n0.750000 0.875000 0.125000 Cu\n0.625000 0.375000 0.250000 Cu\n0.875000 0.125000 0.750000 Cu\n0.672484 0.500000 0.000000 Sb\n0.500000 0.000000 0.672484 Sb\n0.000000 0.672484 0.500000 Sb\n0.827516 0.827516 0.827516 Sb\n0.500000 0.000000 0.172484 Sb\n0.172484 0.500000 0.000000 Sb\n0.000000 0.172484 0.500000 Sb\n0.327516 0.327516 0.327516 Sb\n",
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{
"id": "mp-1015811",
"created_at": "2022-09-04T14:45:43.302540Z",
"structure_string": "Al1 Co2 Si1\n1.0\n-1.277883 2.196591 4.916798\n1.277883 -2.196591 4.916798\n1.277883 2.196591 -4.916798\nAl Co Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.268317 0.268317 0.000000 Co\n0.731683 0.731683 0.000000 Co\n0.500000 0.500000 0.000000 Si\n",
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