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{
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"results": [
{
"id": "mp-17240",
"created_at": "2022-09-04T14:45:53.479343Z",
"structure_string": "Rb1 Na3 Li12 Si4 O16\n1.0\n-5.492709 5.492709 3.177891\n5.492709 -5.492709 3.177891\n5.492709 5.492709 -3.177891\nRb Na Li Si O\n1 3 12 4 16\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.713730 0.927528 0.641258 Li\n0.927528 0.286270 0.213797 Li\n0.286270 0.072472 0.358742 Li\n0.072472 0.713730 0.786203 Li\n0.364299 0.490668 0.341490 Li\n0.022808 0.364299 0.873631 Li\n0.635701 0.509332 0.658510 Li\n0.149178 0.022808 0.658510 Li\n0.850822 0.977192 0.341490 Li\n0.509332 0.850822 0.873631 Li\n0.977192 0.635701 0.126369 Li\n0.490668 0.149178 0.126369 Li\n0.425154 0.780206 0.205359 Si\n0.780206 0.574846 0.355052 Si\n0.219794 0.425154 0.644948 Si\n0.574846 0.219794 0.794641 Si\n0.366962 0.086679 0.886910 O\n0.086679 0.199768 0.719717 O\n0.199768 0.480052 0.113090 O\n0.480052 0.366962 0.280283 O\n0.913321 0.800232 0.280283 O\n0.633038 0.913321 0.113090 O\n0.519948 0.633038 0.719717 O\n0.800232 0.519948 0.886910 O\n0.839368 0.435155 0.274524 O\n0.564845 0.839368 0.404213 O\n0.435155 0.160632 0.595787 O\n0.160632 0.564845 0.725476 O\n0.325194 0.892121 0.217315 O\n0.107879 0.325194 0.433073 O\n0.892121 0.674806 0.566927 O\n0.674806 0.107879 0.782685 O\n",
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"O"
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"volume_molar": 6.415353205455666,
"formula_full": "Rb1 Na3 Li12 Si4 O16",
"formula_reduced": "RbNa3Li12(SiO4)4",
"formula_anonymous": "AB3C4D12E16",
"energy": -223.23256393,
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"updated_at": "2021-11-28T01:37:09.777000Z",
"spacegroup": 87
},
{
"id": "mp-1193287",
"created_at": "2022-09-04T14:43:08.874881Z",
"structure_string": "Li4 Sc2 P4 O16\n1.0\n8.383699 0.000000 0.000000\n0.000000 4.984696 0.000000\n0.000000 3.600854 7.533594\nLi Sc P O\n4 2 4 16\ndirect\n0.870388 0.442077 0.166164 Li\n0.629612 0.442077 0.666164 Li\n0.129612 0.557923 0.833836 Li\n0.370388 0.557923 0.333836 Li\n0.500000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.655664 0.841206 0.266029 P\n0.844336 0.841206 0.766029 P\n0.344336 0.158794 0.733971 P\n0.155664 0.158794 0.233971 P\n0.674552 0.183388 0.171757 O\n0.825448 0.183388 0.671757 O\n0.325448 0.816612 0.828243 O\n0.174552 0.816612 0.328243 O\n0.819653 0.684397 0.310148 O\n0.680347 0.684397 0.810148 O\n0.180347 0.315603 0.689852 O\n0.319653 0.315603 0.189852 O\n0.557790 0.732569 0.148140 O\n0.942210 0.732569 0.648140 O\n0.442210 0.267431 0.851860 O\n0.057790 0.267431 0.351860 O\n0.556572 0.760543 0.438382 O\n0.943428 0.760543 0.938382 O\n0.443428 0.239457 0.561618 O\n0.056572 0.239457 0.061618 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Sc",
"P",
"O"
],
"chemical_system": "Li-O-P-Sc",
"density": 2.6243339611900445,
"density_atomic": 0.08258416493997267,
"volume": 314.8303312008837,
"volume_molar": 7.292125269265927,
"formula_full": "Li4 Sc2 P4 O16",
"formula_reduced": "Li2Sc(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -195.65324337,
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"updated_at": "2021-11-28T01:36:04.181000Z",
"spacegroup": 14
},
{
"id": "mp-1197256",
"created_at": "2022-09-04T14:40:17.158377Z",
"structure_string": "K8 Ti4 Si12 O40\n1.0\n7.204092 0.000000 0.000000\n0.000000 10.001653 0.000000\n0.000000 0.000000 13.007894\nK Ti Si O\n8 4 12 40\ndirect\n0.340517 0.780610 0.125931 K\n0.840517 0.719390 0.874069 K\n0.659483 0.280610 0.374069 K\n0.159483 0.219390 0.625931 K\n0.782984 0.561303 0.585127 K\n0.282984 0.938697 0.414873 K\n0.217016 0.061303 0.914873 K\n0.717016 0.438697 0.085127 K\n0.238393 0.549545 0.708486 Ti\n0.738393 0.950455 0.291514 Ti\n0.761607 0.049545 0.791514 Ti\n0.261607 0.450455 0.208486 Ti\n0.489187 0.822661 0.676121 Si\n0.989187 0.677339 0.323879 Si\n0.510813 0.322661 0.823879 Si\n0.010813 0.177339 0.176121 Si\n0.765526 0.967371 0.549610 Si\n0.265526 0.532629 0.450390 Si\n0.234474 0.467371 0.950390 Si\n0.734474 0.032629 0.049610 Si\n0.920892 0.359338 0.832063 Si\n0.420892 0.140662 0.167937 Si\n0.079108 0.859338 0.667937 Si\n0.579108 0.640662 0.332063 Si\n0.256184 0.578938 0.859071 O\n0.756184 0.921062 0.140929 O\n0.743816 0.078938 0.640929 O\n0.243816 0.421062 0.359071 O\n0.446230 0.664091 0.686752 O\n0.946230 0.835909 0.313248 O\n0.553770 0.164091 0.813248 O\n0.053770 0.335909 0.186752 O\n0.220406 0.484017 0.565880 O\n0.720406 0.015983 0.434120 O\n0.779594 0.984017 0.934120 O\n0.279594 0.515983 0.065880 O\n0.014505 0.438700 0.737136 O\n0.514505 0.061300 0.262864 O\n0.985495 0.938700 0.762864 O\n0.485495 0.561300 0.237136 O\n0.403221 0.385927 0.725587 O\n0.903221 0.114073 0.274413 O\n0.596779 0.885927 0.774413 O\n0.096779 0.614073 0.225587 O\n0.067827 0.698688 0.685051 O\n0.567827 0.801312 0.314949 O\n0.932173 0.198688 0.814949 O\n0.432173 0.301312 0.185051 O\n0.296703 0.907766 0.650529 O\n0.796703 0.592234 0.349471 O\n0.703297 0.407766 0.849471 O\n0.203297 0.092234 0.150529 O\n0.980596 0.907725 0.558399 O\n0.480596 0.592275 0.441601 O\n0.019404 0.407725 0.941601 O\n0.519404 0.092275 0.058399 O\n0.625666 0.839429 0.575197 O\n0.125666 0.660571 0.424803 O\n0.374334 0.339429 0.924803 O\n0.874334 0.160571 0.075197 O\n0.586356 0.303603 0.588961 O\n0.086356 0.196397 0.411039 O\n0.413644 0.803603 0.911039 O\n0.913644 0.696397 0.088961 O\n",
"nsites": 64,
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"elements": [
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"O"
],
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"density": 2.6243473404702526,
"density_atomic": 0.06828447134108086,
"volume": 937.2555537600939,
"volume_molar": 8.819195113804739,
"formula_full": "K8 Ti4 Si12 O40",
"formula_reduced": "K2TiSi3O10",
"formula_anonymous": "AB2C3D10",
"energy": -482.59498341,
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"total_magnetization": 1.61e-05,
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"updated_at": "2021-11-28T01:34:53.516000Z",
"spacegroup": 19
},
{
"id": "mp-770560",
"created_at": "2022-09-04T14:39:07.126636Z",
"structure_string": "Na8 Cr4 C8 S2 O32\n1.0\n0.000000 6.896871 7.134270\n6.841776 0.000000 7.134270\n6.841776 6.896871 0.000000\nNa Cr C S O\n8 4 8 2 32\ndirect\n0.541193 0.958807 0.541193 Na\n0.959376 0.540624 0.540625 Na\n0.709375 0.290624 0.290624 Na\n0.291193 0.708807 0.291193 Na\n0.958807 0.541193 0.958807 Na\n0.540624 0.959376 0.959376 Na\n0.290624 0.709376 0.709376 Na\n0.708807 0.291193 0.708807 Na\n0.125000 0.125000 0.625000 Cr\n0.125000 0.125000 0.125000 Cr\n0.625000 0.125000 0.125000 Cr\n0.125000 0.625000 0.125000 Cr\n0.914172 0.916801 0.263605 C\n0.333199 0.335828 0.344577 C\n0.263605 0.905423 0.914172 C\n0.905423 0.263605 0.916801 C\n0.344577 0.986395 0.333199 C\n0.986395 0.344577 0.335828 C\n0.916801 0.914172 0.905423 C\n0.335828 0.333199 0.986395 C\n0.500000 0.500000 0.500000 S\n0.750000 0.750000 0.750000 S\n0.769998 0.942894 0.268962 O\n0.568112 0.313354 0.558941 O\n0.940556 0.033243 0.260364 O\n0.216757 0.309444 0.484163 O\n0.260364 0.765837 0.940556 O\n0.480757 0.219204 0.319564 O\n0.558941 0.559592 0.568112 O\n0.313354 0.568112 0.559592 O\n0.980475 0.319564 0.219204 O\n0.765837 0.260364 0.033243 O\n0.307106 0.480002 0.231853 O\n0.559592 0.558941 0.313354 O\n0.268962 0.018147 0.769998 O\n0.018147 0.268962 0.942894 O\n0.030796 0.769243 0.269525 O\n0.319564 0.980475 0.480757 O\n0.930436 0.269525 0.769243 O\n0.219204 0.480757 0.980475 O\n0.231853 0.981038 0.307106 O\n0.981038 0.231853 0.480002 O\n0.690408 0.691059 0.936646 O\n0.942894 0.769998 0.018147 O\n0.484163 0.989636 0.216757 O\n0.269525 0.930436 0.030796 O\n0.936646 0.681888 0.690408 O\n0.691059 0.690408 0.681888 O\n0.769243 0.030796 0.930436 O\n0.989636 0.484163 0.309444 O\n0.033243 0.940556 0.765837 O\n0.309444 0.216757 0.989636 O\n0.681888 0.936646 0.691059 O\n0.480002 0.307106 0.981038 O\n",
"nsites": 54,
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"elements": [
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"Cr",
"C",
"S",
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],
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"density_atomic": 0.08020349033335449,
"volume": 673.2874065150609,
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"formula_full": "Na8 Cr4 C8 S2 O32",
"formula_reduced": "Na4Cr2C4SO16",
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"energy": -400.77174961,
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"updated_at": "2021-11-28T01:34:41.443000Z",
"spacegroup": 70
},
{
"id": "mp-23251",
"created_at": "2022-09-04T14:47:23.211334Z",
"structure_string": "K1 Br1\n1.0\n0.000000 3.351538 3.351538\n3.351538 0.000000 3.351538\n3.351538 3.351538 0.000000\nK Br\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
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],
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"volume": 75.29435878270051,
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"formula_full": "K1 Br1",
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"energy": -6.8047007,
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"updated_at": "2021-11-28T01:38:05.626000Z",
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},
{
"id": "mp-1022456",
"created_at": "2022-09-04T14:42:27.837033Z",
"structure_string": "Mg12 Zr2 Si2\n1.0\n5.052461 0.000000 0.000000\n0.000000 5.879574 0.000000\n0.000000 0.000000 11.294308\nMg Zr Si\n12 2 2\ndirect\n0.500000 0.749482 0.923947 Mg\n0.500000 0.250518 0.923947 Mg\n0.000000 0.250870 0.578510 Mg\n0.000000 0.749130 0.578510 Mg\n0.000000 0.500000 0.831636 Mg\n0.000000 0.000000 0.819276 Mg\n0.500000 0.249482 0.423947 Mg\n0.500000 0.750518 0.423947 Mg\n0.000000 0.750870 0.078510 Mg\n0.000000 0.249130 0.078510 Mg\n0.000000 0.000000 0.331636 Mg\n0.000000 0.500000 0.319276 Mg\n0.500000 0.500000 0.677106 Zr\n0.500000 0.000000 0.177106 Zr\n0.500000 0.000000 0.667065 Si\n0.500000 0.500000 0.167065 Si\n",
"nsites": 16,
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"elements": [
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],
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"volume": 335.5123087832946,
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"formula_full": "Mg12 Zr2 Si2",
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"spacegroup": 38
},
{
"id": "mp-559783",
"created_at": "2022-09-04T14:39:46.968397Z",
"structure_string": "Na12 B4 P8 O32\n1.0\n5.199395 6.355295 0.000000\n-5.199395 6.355295 0.000000\n0.000000 0.426754 10.329088\nNa B P O\n12 4 8 32\ndirect\n0.142899 0.363512 0.731811 Na\n0.957893 0.042107 0.750000 Na\n0.703558 0.473678 0.620046 Na\n0.636488 0.857101 0.768189 Na\n0.296442 0.526322 0.379954 Na\n0.473678 0.703558 0.120046 Na\n0.347196 0.652804 0.750000 Na\n0.857101 0.636488 0.268189 Na\n0.042107 0.957893 0.250000 Na\n0.526322 0.296442 0.879954 Na\n0.363512 0.142899 0.231811 Na\n0.652804 0.347196 0.250000 Na\n0.754852 0.978090 0.498599 B\n0.245148 0.021910 0.501401 B\n0.021910 0.245148 0.001401 B\n0.978090 0.754852 0.998599 B\n0.945253 0.227062 0.457750 P\n0.468877 0.210171 0.561341 P\n0.210171 0.468877 0.061341 P\n0.772938 0.054747 0.042250 P\n0.531123 0.789829 0.438659 P\n0.054747 0.772938 0.542250 P\n0.227062 0.945253 0.957750 P\n0.789829 0.531123 0.938659 P\n0.257189 0.935397 0.102574 O\n0.935397 0.257189 0.602574 O\n0.089602 0.841246 0.919948 O\n0.910398 0.158754 0.080052 O\n0.742811 0.064603 0.897426 O\n0.272859 0.468564 0.921599 O\n0.069794 0.629731 0.089585 O\n0.658514 0.539822 0.836797 O\n0.629731 0.069794 0.589585 O\n0.379390 0.886230 0.873718 O\n0.930206 0.370269 0.910415 O\n0.121016 0.315995 0.093448 O\n0.620610 0.113770 0.126282 O\n0.113770 0.620610 0.626282 O\n0.138420 0.129916 0.913149 O\n0.370269 0.930206 0.410415 O\n0.684005 0.878984 0.406552 O\n0.341486 0.460178 0.163203 O\n0.158754 0.910398 0.580052 O\n0.870084 0.861580 0.586851 O\n0.727141 0.531436 0.078401 O\n0.468564 0.272859 0.421599 O\n0.315995 0.121016 0.593448 O\n0.886230 0.379390 0.373718 O\n0.841246 0.089602 0.419948 O\n0.531436 0.727141 0.578401 O\n0.539822 0.658514 0.336797 O\n0.064603 0.742811 0.397426 O\n0.861580 0.870084 0.086851 O\n0.460178 0.341486 0.663203 O\n0.129916 0.138420 0.413149 O\n0.878984 0.684005 0.906552 O\n",
"nsites": 56,
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],
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"density": 2.624500269941291,
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"formula_full": "Na12 B4 P8 O32",
"formula_reduced": "Na3B(PO4)2",
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"spacegroup": 15
},
{
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