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{
"count": 146323,
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"results": [
{
"id": "mp-1177614",
"created_at": "2022-09-04T14:48:31.242871Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n9.794121 0.000000 0.000000\n0.303923 9.821671 0.000000\n0.805964 0.787677 9.839046\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.249575 0.513143 0.980787 Li\n0.387691 0.259157 0.009149 Li\n0.475116 0.569031 0.770688 Li\n0.176104 0.731868 0.776401 Li\n0.612151 0.968960 0.753418 Li\n0.832622 0.746516 0.621082 Li\n0.733695 0.015821 0.489455 Li\n0.533132 0.233296 0.439669 Li\n0.975447 0.916673 0.312792 Li\n0.824521 0.225814 0.268186 Li\n0.183102 0.375558 0.246204 Li\n0.016023 0.671876 0.087953 Li\n0.994285 0.468578 0.523639 Mn\n0.510115 0.533110 0.469390 Mn\n0.492909 0.756445 0.249585 Mn\n0.720177 0.741308 0.028634 Mn\n0.786967 0.250562 0.970390 V\n0.006140 0.249960 0.748582 V\n0.219962 0.026787 0.751248 V\n0.276754 0.967120 0.252249 V\n0.404920 0.823513 0.950267 P\n0.897841 0.947086 0.826095 P\n0.934152 0.550888 0.842546 P\n0.307648 0.343246 0.679458 P\n0.701937 0.327081 0.661237 P\n0.424105 0.838497 0.555602 P\n0.066608 0.150012 0.450629 P\n0.797710 0.678024 0.347261 P\n0.195088 0.650157 0.312439 P\n0.578432 0.447107 0.158588 P\n0.590102 0.054505 0.185942 P\n0.097703 0.172713 0.051607 P\n0.853117 0.874953 0.967859 O\n0.562880 0.827024 0.916888 O\n0.796055 0.608426 0.899337 O\n0.343566 0.959054 0.887777 O\n0.343428 0.696053 0.901298 O\n0.930835 0.389386 0.874574 O\n0.058777 0.602030 0.907948 O\n0.124640 0.161694 0.892298 O\n0.874682 0.106077 0.836172 O\n0.676242 0.305939 0.818415 O\n0.052768 0.910071 0.798596 O\n0.356672 0.408182 0.801767 O\n0.810288 0.908147 0.714959 O\n0.946920 0.590093 0.686510 O\n0.329774 0.185597 0.686278 O\n0.149759 0.379140 0.671319 O\n0.286676 0.874853 0.636135 O\n0.547601 0.914380 0.591554 O\n0.867644 0.333531 0.622340 O\n0.639880 0.468057 0.619584 O\n0.441398 0.678891 0.588485 O\n0.654852 0.207417 0.589229 O\n0.073403 0.120702 0.609993 O\n0.382864 0.392827 0.539567 O\n0.841332 0.797487 0.423714 O\n0.133312 0.591746 0.452763 O\n0.854912 0.538318 0.398412 O\n0.405467 0.873359 0.399426 O\n0.634348 0.670935 0.374629 O\n0.936205 0.090319 0.404348 O\n0.072131 0.306239 0.409475 O\n0.199062 0.081228 0.389784 O\n0.354918 0.628187 0.319269 O\n0.151726 0.804438 0.293509 O\n0.560056 0.416466 0.317987 O\n0.648625 0.109632 0.309671 O\n0.839280 0.703655 0.192457 O\n0.620308 0.894639 0.187038 O\n0.151982 0.573086 0.194535 O\n0.433028 0.087147 0.180950 O\n0.590817 0.609031 0.122078 O\n0.369966 0.829541 0.109578 O\n0.716312 0.376377 0.115692 O\n0.942512 0.205573 0.091059 O\n0.454239 0.405513 0.091676 O\n0.131434 0.033601 0.125803 O\n0.190098 0.287325 0.083626 O\n0.660476 0.112027 0.049666 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8886715492142545,
"density_atomic": 0.08452518860826685,
"volume": 946.4634308094962,
"volume_molar": 7.124670005659134,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -606.93067615,
"energy_per_atom": -7.586633451875,
"energy_above_hull": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -560.48267615,
"band_gap": 0.5481,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 24.0002879,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:59.678000Z",
"spacegroup": 1
},
{
"id": "mp-1211719",
"created_at": "2022-09-04T14:39:06.419289Z",
"structure_string": "K2 Co6 Cu2 As6 O24\n1.0\n6.460580 6.201417 0.000000\n-6.460580 6.201417 0.000000\n0.000000 2.763704 6.346974\nK Co Cu As O\n2 6 2 6 24\ndirect\n0.513737 0.486263 0.250000 K\n0.486263 0.513737 0.750000 K\n0.560420 0.876277 0.370729 Co\n0.439580 0.123723 0.629271 Co\n0.123723 0.439580 0.129271 Co\n0.876277 0.560420 0.870729 Co\n0.241135 0.758865 0.250000 Co\n0.758865 0.241135 0.750000 Co\n0.997912 0.002088 0.250000 Cu\n0.002088 0.997912 0.750000 Cu\n0.377718 0.147268 0.127380 As\n0.622282 0.852732 0.872620 As\n0.852732 0.622282 0.372620 As\n0.147268 0.377718 0.627380 As\n0.785446 0.214554 0.250000 As\n0.214554 0.785446 0.750000 As\n0.223867 0.999893 0.185947 O\n0.776133 0.000107 0.814053 O\n0.000107 0.776133 0.314053 O\n0.999893 0.223867 0.685947 O\n0.471143 0.092914 0.319458 O\n0.528857 0.907086 0.680542 O\n0.907086 0.528857 0.180542 O\n0.092914 0.471143 0.819458 O\n0.490705 0.830400 0.118591 O\n0.509295 0.169600 0.881409 O\n0.169600 0.509295 0.381409 O\n0.830400 0.490705 0.618591 O\n0.673693 0.250214 0.476697 O\n0.326307 0.749786 0.523303 O\n0.749786 0.326307 0.023303 O\n0.250214 0.673693 0.976697 O\n0.776429 0.016121 0.261853 O\n0.223571 0.983879 0.738147 O\n0.983879 0.223571 0.238147 O\n0.016121 0.776429 0.761853 O\n0.674792 0.684416 0.373890 O\n0.325208 0.315584 0.626110 O\n0.315584 0.325208 0.126110 O\n0.684416 0.674792 0.873890 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Co",
"Cu",
"As",
"O"
],
"chemical_system": "As-Co-Cu-K-O",
"density": 4.546266386388743,
"density_atomic": 0.07865038127791672,
"volume": 508.57986128073753,
"volume_molar": 7.656848780834689,
"formula_full": "K2 Co6 Cu2 As6 O24",
"formula_reduced": "KCo3Cu(AsO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -256.39299954,
"energy_per_atom": -6.4098249885000005,
"energy_above_hull": null,
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"energy_uncorrected": -230.07699954,
"band_gap": 0.1089999999999999,
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"is_magnetic": true,
"total_magnetization": 1.380702,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.459000Z",
"spacegroup": 15
},
{
"id": "mp-768587",
"created_at": "2022-09-04T14:47:30.898488Z",
"structure_string": "Li6 Mn2 V2 P6 O24\n1.0\n8.383381 0.000000 0.000000\n-4.153709 7.355985 0.000000\n-4.083071 -2.489816 7.819589\nLi Mn V P O\n6 2 2 6 24\ndirect\n0.935286 0.262063 0.858960 Li\n0.192814 0.924876 0.850139 Li\n0.198213 0.734391 0.408104 Li\n0.809352 0.073416 0.140834 Li\n0.026820 0.753186 0.081308 Li\n0.392226 0.324828 0.138436 Li\n0.303711 0.158762 0.443241 Mn\n0.709390 0.849057 0.566297 Mn\n0.319276 0.654374 0.961156 V\n0.689966 0.348056 0.037261 V\n0.801312 0.536365 0.752385 P\n0.214262 0.255972 0.752017 P\n0.510888 0.958539 0.757334 P\n0.499836 0.042647 0.244439 P\n0.783793 0.737122 0.253227 P\n0.197966 0.465262 0.248644 P\n0.735341 0.511062 0.890692 O\n0.890333 0.747364 0.755573 O\n0.997186 0.512507 0.822842 O\n0.305451 0.472507 0.831239 O\n0.361707 0.206847 0.893950 O\n0.694340 0.156109 0.900900 O\n0.619016 0.390436 0.580719 O\n0.993348 0.131029 0.734799 O\n0.209804 0.230641 0.587610 O\n0.359595 0.831698 0.823429 O\n0.627550 0.872832 0.737609 O\n0.368659 0.974134 0.589488 O\n0.624090 0.013380 0.408883 O\n0.376083 0.127221 0.253196 O\n0.646060 0.165833 0.176072 O\n0.803086 0.776516 0.426430 O\n0.006081 0.848797 0.268760 O\n0.382055 0.625329 0.417527 O\n0.310257 0.840350 0.094617 O\n0.638646 0.798012 0.120784 O\n0.677014 0.520725 0.179816 O\n0.016670 0.503212 0.190069 O\n0.119512 0.261419 0.259360 O\n0.261404 0.476847 0.107635 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8348366629476827,
"density_atomic": 0.0829499302800487,
"volume": 482.2186090447009,
"volume_molar": 7.259970851896496,
"formula_full": "Li6 Mn2 V2 P6 O24",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -304.1285534,
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"energy_above_hull": null,
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"energy_uncorrected": -280.9045534,
"band_gap": 0.2381999999999999,
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"is_magnetic": true,
"total_magnetization": 12.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.119000Z",
"spacegroup": 1
},
{
"id": "mp-1099703",
"created_at": "2022-09-04T14:42:01.153952Z",
"structure_string": "Sr6 Ca2 Ti6 Mn2 O24\n1.0\n7.793510 0.000000 0.000000\n0.000000 7.799374 0.000000\n0.000000 0.000000 7.889578\nSr Ca Ti Mn O\n6 2 6 2 24\ndirect\n0.246761 0.246494 0.250000 Sr\n0.246755 0.246651 0.750000 Sr\n0.246495 0.753437 0.750000 Sr\n0.753245 0.246651 0.250000 Sr\n0.753239 0.246494 0.750000 Sr\n0.753505 0.753437 0.250000 Sr\n0.246543 0.753586 0.250000 Ca\n0.753457 0.753586 0.750000 Ca\n0.000000 0.502109 0.000000 Ti\n0.000000 0.502109 0.500000 Ti\n0.500000 0.998580 0.000000 Ti\n0.500000 0.998580 0.500000 Ti\n0.500000 0.501413 0.000000 Ti\n0.500000 0.501413 0.500000 Ti\n0.000000 0.999094 0.000000 Mn\n0.000000 0.999094 0.500000 Mn\n0.247756 0.997199 0.002016 O\n0.247756 0.997199 0.497984 O\n0.249497 0.502505 0.001605 O\n0.249497 0.502505 0.498395 O\n0.752244 0.997199 0.997984 O\n0.752244 0.997199 0.502016 O\n0.750503 0.502505 0.998395 O\n0.750503 0.502505 0.501605 O\n0.000000 0.247841 0.000000 O\n0.000000 0.247841 0.500000 O\n0.000000 0.752343 0.000000 O\n0.000000 0.752343 0.500000 O\n0.500000 0.249376 0.000000 O\n0.500000 0.249376 0.500000 O\n0.500000 0.750499 0.000000 O\n0.500000 0.750499 0.500000 O\n0.002851 0.996595 0.250000 O\n0.997149 0.996595 0.750000 O\n0.001719 0.502568 0.250000 O\n0.998281 0.502568 0.750000 O\n0.498352 0.997341 0.250000 O\n0.501648 0.997341 0.750000 O\n0.498276 0.502667 0.250000 O\n0.501724 0.502667 0.750000 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.802419087233181,
"density_atomic": 0.08340908822595844,
"volume": 479.56404812432976,
"volume_molar": 7.22000550310032,
"formula_full": "Sr6 Ca2 Ti6 Mn2 O24",
"formula_reduced": "Sr3CaTi3MnO12",
"formula_anonymous": "ABC3D3E12",
"energy": -329.41676977,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.731000Z",
"spacegroup": 28
},
{
"id": "mp-1177636",
"created_at": "2022-09-04T14:42:01.270925Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.662794 0.000000 0.000000\n-0.836187 8.631183 0.000000\n-3.433797 -3.803057 11.560280\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.003285 0.001431 0.124934 Li\n0.003185 0.994770 0.624075 Li\n0.707562 0.289950 0.373302 Li\n0.500671 0.501971 0.251172 Li\n0.712027 0.292961 0.876662 Li\n0.499355 0.500150 0.497715 Li\n0.291772 0.712816 0.126677 Li\n0.500728 0.501843 0.750939 Li\n0.500728 0.499466 0.001180 Li\n0.287413 0.709282 0.622656 Li\n0.999328 0.997205 0.373220 Li\n0.999770 0.004452 0.875304 Li\n0.626789 0.941825 0.434803 Mn\n0.374946 0.055244 0.066473 Mn\n0.055494 0.376459 0.314024 Mn\n0.055169 0.375771 0.814287 Mn\n0.941868 0.622802 0.179985 V\n0.942673 0.623577 0.679177 V\n0.623474 0.941962 0.932847 V\n0.377789 0.055749 0.568579 V\n0.711049 0.287763 0.125182 P\n0.867692 0.666947 0.433267 P\n0.665353 0.859304 0.184650 P\n0.711353 0.288299 0.624228 P\n0.860557 0.666370 0.931614 P\n0.662626 0.862388 0.680623 P\n0.334372 0.136051 0.315616 P\n0.133034 0.338016 0.065913 P\n0.287152 0.711859 0.373855 P\n0.336903 0.131964 0.819319 P\n0.139707 0.338354 0.567805 P\n0.287215 0.711657 0.875132 P\n0.986221 0.663528 0.045174 O\n0.949472 0.610842 0.336236 O\n0.739646 0.175493 0.016519 O\n0.993197 0.656401 0.545193 O\n0.826216 0.267957 0.237963 O\n0.848930 0.840891 0.203793 O\n0.731304 0.463055 0.115788 O\n0.857350 0.851826 0.455381 O\n0.945196 0.615350 0.835889 O\n0.734060 0.173870 0.513067 O\n0.827019 0.265375 0.735267 O\n0.844755 0.844259 0.693095 O\n0.705931 0.552155 0.399855 O\n0.615922 0.947499 0.091056 O\n0.663063 0.983279 0.300217 O\n0.536784 0.257839 0.136662 O\n0.735092 0.462500 0.613475 O\n0.545136 0.700738 0.148876 O\n0.841404 0.849887 0.951058 O\n0.702177 0.546104 0.897518 O\n0.600670 0.952107 0.586293 O\n0.450775 0.297209 0.350858 O\n0.663431 0.986386 0.795784 O\n0.537746 0.263113 0.636652 O\n0.464539 0.736714 0.366968 O\n0.341811 0.012684 0.200955 O\n0.544827 0.703103 0.645767 O\n0.388950 0.051524 0.411321 O\n0.295800 0.451112 0.101807 O\n0.142319 0.154805 0.051594 O\n0.450323 0.294455 0.854194 O\n0.260552 0.534815 0.381748 O\n0.463611 0.732463 0.867019 O\n0.343513 0.009647 0.705477 O\n0.403067 0.045828 0.915451 O\n0.299197 0.456741 0.603927 O\n0.149765 0.147093 0.295019 O\n0.176507 0.738133 0.263768 O\n0.260745 0.823802 0.483918 O\n0.043596 0.402832 0.160189 O\n0.158437 0.156901 0.557241 O\n0.257349 0.536355 0.884843 O\n0.153519 0.141459 0.804571 O\n0.175842 0.740468 0.766687 O\n0.017356 0.334943 0.451122 O\n0.266714 0.825685 0.987941 O\n0.047813 0.399991 0.661317 O\n0.011307 0.342123 0.950269 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 3.1630447594519064,
"density_atomic": 0.09255360130568878,
"volume": 864.3639887741766,
"volume_molar": 6.50665201034144,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -607.41176749,
"energy_per_atom": -7.592647093625,
"energy_above_hull": null,
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"energy_uncorrected": -560.96376749,
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"updated_at": "2021-11-28T01:35:33.629000Z",
"spacegroup": 1
},
{
"id": "mp-1227263",
"created_at": "2022-09-04T14:41:22.673451Z",
"structure_string": "Ca1 Mn3 Cu3 Ru1 O12\n1.0\n3.695781 -3.701253 -3.694607\n-3.761442 -3.734528 -3.727010\n-3.728195 3.733592 -3.759347\nCa Mn Cu Ru O\n1 3 3 1 12\ndirect\n0.000000 0.000004 0.999996 Ca\n0.499993 0.499976 0.500010 Mn\n0.000005 0.999995 0.499999 Mn\n0.999996 0.500007 0.000005 Mn\n0.999996 0.499997 0.500002 Cu\n0.500007 0.999996 0.500002 Cu\n0.500000 0.500003 0.999998 Cu\n0.499996 0.000004 0.000003 Ru\n0.827406 0.698355 0.139671 O\n0.172589 0.301657 0.860327 O\n0.526234 0.161290 0.698995 O\n0.473764 0.838704 0.301006 O\n0.311593 0.860447 0.837930 O\n0.688408 0.139556 0.162068 O\n0.180700 0.680389 0.485734 O\n0.819309 0.319608 0.514262 O\n0.860998 0.834497 0.679959 O\n0.139007 0.165506 0.320037 O\n0.304815 0.514604 0.165849 O\n0.695183 0.485403 0.834148 O\n",
"nsites": 20,
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"elements": [
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"Ru",
"O"
],
"chemical_system": "Ca-Cu-Mn-O-Ru",
"density": 5.509238765443714,
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"volume": 207.54872283342803,
"volume_molar": 6.249438117305648,
"formula_full": "Ca1 Mn3 Cu3 Ru1 O12",
"formula_reduced": "CaMn3Cu3RuO12",
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"energy": -143.95984323,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:18.393000Z",
"spacegroup": 148
},
{
"id": "mp-1211434",
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"structure_string": "K2 Mg6 V6 Cu2 O24\n1.0\n6.437547 6.158131 0.000000\n-6.437547 6.158131 0.000000\n0.000000 2.569044 6.471213\nK Mg V Cu O\n2 6 6 2 24\ndirect\n0.514979 0.485021 0.250000 K\n0.485021 0.514979 0.750000 K\n0.553317 0.876099 0.374830 Mg\n0.446683 0.123901 0.625170 Mg\n0.123901 0.446683 0.125170 Mg\n0.876099 0.553317 0.874830 Mg\n0.240611 0.759389 0.250000 Mg\n0.759389 0.240611 0.750000 Mg\n0.380582 0.147578 0.121959 V\n0.619418 0.852422 0.878041 V\n0.852422 0.619418 0.378041 V\n0.147578 0.380582 0.621959 V\n0.788146 0.211854 0.250000 V\n0.211854 0.788146 0.750000 V\n0.997215 0.002785 0.250000 Cu\n0.002785 0.997215 0.750000 Cu\n0.673293 0.683841 0.387241 O\n0.326707 0.316159 0.612759 O\n0.316159 0.326707 0.112759 O\n0.683841 0.673293 0.887241 O\n0.772705 0.010649 0.267811 O\n0.227295 0.989351 0.732189 O\n0.989351 0.227295 0.232189 O\n0.010649 0.772705 0.767811 O\n0.678920 0.247634 0.478229 O\n0.321080 0.752366 0.521771 O\n0.752366 0.321080 0.021771 O\n0.247634 0.678920 0.978229 O\n0.220933 0.003606 0.177181 O\n0.779067 0.996394 0.822819 O\n0.996394 0.779067 0.322819 O\n0.003606 0.220933 0.677181 O\n0.471822 0.098917 0.321510 O\n0.528178 0.901083 0.678490 O\n0.901083 0.528178 0.178490 O\n0.098917 0.471822 0.821510 O\n0.486790 0.830946 0.121659 O\n0.513210 0.169054 0.878341 O\n0.169054 0.513210 0.378341 O\n0.830946 0.486790 0.621659 O\n",
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{
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"structure_string": "Sr1 La3 Mn3 Cr1 O12\n1.0\n9.129526 -2.800847 0.000000\n9.129526 2.800847 0.000000\n8.270255 0.000000 4.774503\nSr La Mn Cr O\n1 3 3 1 12\ndirect\n0.624797 0.624797 0.624797 Sr\n0.125727 0.125727 0.125727 La\n0.373359 0.373359 0.373359 La\n0.876589 0.876589 0.876589 La\n0.250189 0.250189 0.250189 Mn\n0.750267 0.750267 0.750267 Mn\n0.999842 0.999842 0.999842 Mn\n0.500240 0.500240 0.500240 Cr\n0.176798 0.615164 0.080838 O\n0.693341 0.122400 0.558678 O\n0.080838 0.176798 0.615164 O\n0.558678 0.693341 0.122400 O\n0.615164 0.080838 0.176798 O\n0.122400 0.558678 0.693341 O\n0.437719 0.299922 0.881799 O\n0.937570 0.813013 0.381750 O\n0.881799 0.437719 0.299922 O\n0.381750 0.937570 0.813013 O\n0.299922 0.881799 0.437719 O\n0.813013 0.381750 0.937570 O\n",
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"formula_full": "Sr1 La3 Mn3 Cr1 O12",
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{
"id": "mp-768577",
"created_at": "2022-09-04T14:45:54.990035Z",
"structure_string": "Li6 Mn2 V2 P6 O24\n1.0\n8.400329 0.000000 0.000000\n-4.184838 7.313666 0.000000\n-4.180575 -2.441493 7.910436\nLi Mn V P O\n6 2 2 6 24\ndirect\n0.601068 0.669061 0.858117 Li\n0.938872 0.266575 0.872236 Li\n0.206929 0.736535 0.409963 Li\n0.810687 0.073018 0.149647 Li\n0.042736 0.745249 0.086237 Li\n0.385868 0.319561 0.131702 Li\n0.298219 0.152350 0.443624 Mn\n0.724473 0.861318 0.568928 Mn\n0.311999 0.662954 0.963084 V\n0.679471 0.341668 0.032524 V\n0.801760 0.540372 0.751431 P\n0.214676 0.264514 0.757496 P\n0.501676 0.952724 0.761351 P\n0.504070 0.046351 0.246331 P\n0.787707 0.735258 0.243571 P\n0.192568 0.460255 0.243585 P\n0.735239 0.520098 0.894737 O\n0.876767 0.743804 0.748937 O\n0.998151 0.516921 0.834438 O\n0.316016 0.485119 0.831551 O\n0.380961 0.227109 0.900070 O\n0.681012 0.158204 0.897650 O\n0.621653 0.382103 0.589215 O\n0.005128 0.147594 0.754856 O\n0.205432 0.229766 0.594589 O\n0.350067 0.825729 0.825074 O\n0.624574 0.868591 0.756918 O\n0.368849 0.966058 0.590255 O\n0.628868 0.025507 0.412992 O\n0.371723 0.124414 0.240422 O\n0.651316 0.167453 0.175205 O\n0.799438 0.779111 0.405830 O\n0.009698 0.839624 0.258462 O\n0.368075 0.620275 0.408647 O\n0.327762 0.834985 0.110690 O\n0.644256 0.791247 0.099959 O\n0.676554 0.513606 0.173298 O\n0.000045 0.489854 0.173490 O\n0.111796 0.255683 0.254922 O\n0.257301 0.473278 0.105213 O\n",
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"formula_full": "Li6 Mn2 V2 P6 O24",
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{
"id": "mp-778016",
"created_at": "2022-09-04T14:40:20.346660Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n0.000000 8.432201 8.589756\n5.946797 0.000000 8.589756\n5.946797 8.432201 0.000000\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.004791 0.368482 0.872920 Li\n0.377080 0.496192 0.245209 Li\n0.500000 0.500000 0.500000 Li\n0.368482 0.004791 0.753808 Li\n0.250000 0.250000 0.250000 Li\n0.496192 0.377080 0.881518 Li\n0.753808 0.872920 0.368482 Li\n0.000000 0.000000 0.000000 Li\n0.881518 0.245209 0.496192 Li\n0.750000 0.750000 0.750000 Li\n0.872920 0.753808 0.004791 Li\n0.245209 0.881518 0.377080 Li\n0.125000 0.625000 0.125000 Mn\n0.125000 0.125000 0.125000 Mn\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.125000 0.625000 0.625000 V\n0.625000 0.625000 0.125000 V\n0.625000 0.625000 0.625000 V\n0.625000 0.125000 0.625000 V\n0.999132 0.500868 0.500868 P\n0.872500 0.501923 0.252002 P\n0.373576 0.252002 0.501923 P\n0.252002 0.373576 0.872500 P\n0.748077 0.377500 0.876424 P\n0.749132 0.250868 0.250868 P\n0.500868 0.999132 0.999132 P\n0.997998 0.876424 0.377500 P\n0.501923 0.872500 0.373576 P\n0.876424 0.997998 0.748077 P\n0.377500 0.748077 0.997998 P\n0.250868 0.749132 0.749132 P\n0.739642 0.516380 0.920143 O\n0.126509 0.509500 0.332790 O\n0.340631 0.618570 0.031477 O\n0.006640 0.538770 0.631590 O\n0.827280 0.533359 0.122529 O\n0.122529 0.516832 0.827280 O\n0.329857 0.426166 0.510358 O\n0.240677 0.218523 0.631430 O\n0.414360 0.244727 0.331725 O\n0.618570 0.340631 0.009323 O\n0.009188 0.331725 0.244727 O\n0.427000 0.618410 0.711230 O\n0.618410 0.427000 0.243360 O\n0.244727 0.414360 0.009188 O\n0.218523 0.240677 0.909369 O\n0.426166 0.329857 0.733620 O\n0.031202 0.332790 0.509500 O\n0.733620 0.510358 0.426166 O\n0.516832 0.122529 0.533359 O\n0.918275 0.240812 0.835640 O\n0.740500 0.123491 0.218798 O\n0.711230 0.243360 0.427000 O\n0.332790 0.031202 0.126509 O\n0.716641 0.422720 0.733168 O\n0.533359 0.827280 0.516832 O\n0.917210 0.218798 0.123491 O\n0.538770 0.006640 0.823000 O\n0.509500 0.126509 0.031202 O\n0.331725 0.009188 0.414360 O\n0.733168 0.127471 0.716641 O\n0.516380 0.739642 0.823834 O\n0.218798 0.917210 0.740500 O\n0.823834 0.920143 0.516380 O\n0.031477 0.009323 0.340631 O\n0.005273 0.835640 0.240812 O\n0.631590 0.823000 0.006640 O\n0.823000 0.631590 0.538770 O\n0.240812 0.918275 0.005273 O\n0.631430 0.909369 0.240677 O\n0.835640 0.005273 0.918275 O\n0.009323 0.031477 0.618570 O\n0.920143 0.823834 0.739642 O\n0.127471 0.733168 0.422720 O\n0.422720 0.716641 0.127471 O\n0.243360 0.711230 0.618410 O\n0.909369 0.631430 0.218523 O\n0.123491 0.740500 0.917210 O\n0.510358 0.733620 0.329857 O\n",
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"formula_full": "Li12 Mn4 V4 P12 O48",
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{
"id": "mp-1232353",
"created_at": "2022-09-04T14:40:25.608352Z",
"structure_string": "Sr6 Nd2 Ta2 Al6 O24\n1.0\n5.476324 0.000000 0.000000\n0.015408 9.509813 0.000000\n0.010676 3.160647 8.973414\nSr Nd Ta Al O\n6 2 2 6 24\ndirect\n0.502106 0.392784 0.377299 Sr\n0.998348 0.384756 0.865637 Sr\n0.500635 0.869638 0.888853 Sr\n0.498963 0.122734 0.105212 Sr\n0.001333 0.634933 0.117175 Sr\n0.498030 0.611036 0.632407 Sr\n0.000049 0.848294 0.365638 Nd\n0.000474 0.137141 0.648003 Nd\n0.998272 0.255551 0.240743 Ta\n0.500426 0.992123 0.506642 Ta\n0.501106 0.746218 0.248587 Al\n0.499126 0.255212 0.750957 Al\n0.004171 0.748559 0.754805 Al\n0.000275 0.998004 0.999268 Al\n0.501994 0.506194 0.996052 Al\n0.999977 0.499429 0.504114 Al\n0.273576 0.372463 0.136701 O\n0.758260 0.878164 0.137774 O\n0.757331 0.372362 0.630183 O\n0.269007 0.867104 0.646504 O\n0.204165 0.091865 0.383809 O\n0.755249 0.621718 0.373335 O\n0.749470 0.119857 0.865326 O\n0.240221 0.616967 0.880545 O\n0.001353 0.133824 0.108300 O\n0.500962 0.631548 0.119897 O\n0.495857 0.140178 0.611961 O\n0.999694 0.639310 0.614033 O\n0.710869 0.130131 0.348992 O\n0.241210 0.624864 0.371503 O\n0.244567 0.121986 0.862991 O\n0.741374 0.632788 0.865082 O\n0.001027 0.356575 0.393882 O\n0.503548 0.855045 0.388540 O\n0.500990 0.371742 0.880590 O\n0.999920 0.873349 0.879303 O\n0.761304 0.392641 0.117468 O\n0.248426 0.880127 0.135262 O\n0.246338 0.375744 0.628765 O\n0.789998 0.897043 0.617861 O\n",
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{
"id": "mp-1223013",
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"structure_string": "La1 Mn1 Fe3 Bi3 O12\n1.0\n2.773801 4.946807 0.000000\n-2.773801 4.946807 0.000000\n0.000000 3.483853 9.154674\nLa Mn Fe Bi O\n1 1 3 3 12\ndirect\n0.373038 0.373038 0.378855 La\n0.749289 0.749289 0.249493 Mn\n0.497760 0.497760 0.998723 Fe\n0.002832 0.002832 0.500538 Fe\n0.249977 0.249977 0.749701 Fe\n0.644121 0.644121 0.611070 Bi\n0.137756 0.137756 0.111021 Bi\n0.858648 0.858648 0.883945 Bi\n0.078705 0.078705 0.670953 O\n0.566710 0.566710 0.168893 O\n0.422525 0.422525 0.829693 O\n0.933055 0.933055 0.330200 O\n0.090103 0.598885 0.600108 O\n0.591546 0.089752 0.099757 O\n0.902702 0.405373 0.905389 O\n0.412495 0.894730 0.403204 O\n0.598885 0.090103 0.600108 O\n0.089752 0.591546 0.099757 O\n0.405373 0.902702 0.905389 O\n0.894730 0.412495 0.403204 O\n",
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"formula_full": "La1 Mn1 Fe3 Bi3 O12",
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}
]
}