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"results": [
{
"id": "mp-1235201",
"created_at": "2022-09-04T14:40:27.316805Z",
"structure_string": "Li1 Nb2 Te4 Cl10 O1\n1.0\n6.958869 -0.029503 0.286087\n2.370431 8.404816 1.349916\n-0.399066 -0.094932 9.528879\nLi Nb Te Cl O\n1 2 4 10 1\ndirect\n0.100825 0.073645 0.577085 Li\n0.526867 0.636877 0.639870 Nb\n0.476525 0.368349 0.363505 Nb\n0.187975 0.907113 0.160834 Te\n0.090138 0.195442 0.993089 Te\n0.915684 0.810029 0.009880 Te\n0.811368 0.100809 0.842231 Te\n0.447111 0.173839 0.206152 Cl\n0.387174 0.488026 0.815361 Cl\n0.811099 0.195798 0.425145 Cl\n0.145147 0.518142 0.295226 Cl\n0.605268 0.514494 0.184116 Cl\n0.349554 0.208117 0.554683 Cl\n0.854607 0.476665 0.718260 Cl\n0.657961 0.790778 0.465994 Cl\n0.184712 0.798185 0.568368 Cl\n0.537623 0.824119 0.806340 Cl\n0.502955 0.498146 0.502432 O\n",
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"elements": [
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"volume": 559.7944578125844,
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"formula_full": "Li1 Nb2 Te4 Cl10 O1",
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{
"id": "mp-774292",
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"structure_string": "Li8 Mn6 Sn6 Te4 O32\n1.0\n-3.140076 5.438001 -0.000936\n-9.421278 -5.438587 0.057077\n3.098402 5.412120 10.306762\nLi Mn Sn Te O\n8 6 6 4 32\ndirect\n0.550877 0.774571 0.898307 Li\n0.050866 0.274552 0.898317 Li\n0.506012 0.497752 0.987914 Li\n0.006007 0.997771 0.987919 Li\n0.752292 0.252590 0.495410 Li\n0.252279 0.752597 0.495414 Li\n0.296103 0.370133 0.407935 Li\n0.796098 0.870130 0.407940 Li\n0.894568 0.274050 0.210647 Mn\n0.893862 0.938728 0.712550 Mn\n0.393709 0.938759 0.712524 Mn\n0.394565 0.774049 0.210645 Mn\n0.393904 0.438711 0.712563 Mn\n0.893617 0.438712 0.712526 Mn\n0.142123 0.688221 0.715939 Sn\n0.642124 0.188183 0.715943 Sn\n0.140193 0.526170 0.215907 Sn\n0.640185 0.026204 0.215911 Sn\n0.643955 0.526152 0.215838 Sn\n0.143951 0.026188 0.215850 Sn\n0.756391 0.566733 0.487339 Te\n0.256419 0.066707 0.487304 Te\n0.007956 0.634548 0.984013 Te\n0.507916 0.134557 0.984010 Te\n0.838867 0.658124 0.322319 O\n0.338880 0.158141 0.322270 O\n0.945580 0.391744 0.108932 O\n0.445531 0.891844 0.108955 O\n0.842549 0.159511 0.315382 O\n0.342562 0.659493 0.315388 O\n0.597105 0.412936 0.806406 O\n0.097065 0.913022 0.806446 O\n0.444814 0.406029 0.109473 O\n0.944831 0.906120 0.109456 O\n0.711490 0.454055 0.576881 O\n0.211627 0.954047 0.576866 O\n0.192093 0.463495 0.615820 O\n0.692112 0.963476 0.615835 O\n0.070220 0.440062 0.859803 O\n0.570193 0.940047 0.859781 O\n0.967633 0.735045 0.610425 O\n0.467699 0.235010 0.610434 O\n0.421919 0.735163 0.610574 O\n0.921879 0.235148 0.610601 O\n0.047760 0.443913 0.352077 O\n0.547688 0.943915 0.352076 O\n0.600490 0.443784 0.351909 O\n0.100501 0.943860 0.351919 O\n0.320337 0.643998 0.823469 O\n0.820351 0.143966 0.823470 O\n0.856210 0.644002 0.823367 O\n0.356205 0.143980 0.823398 O\n0.710422 0.117049 0.088449 O\n0.210374 0.617051 0.088517 O\n0.200872 0.116536 0.088159 O\n0.700921 0.616506 0.088160 O\n",
"nsites": 56,
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"elements": [
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],
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"density": 4.985676860654395,
"density_atomic": 0.07931745464438456,
"volume": 706.0236646659039,
"volume_molar": 7.592453372337698,
"formula_full": "Li8 Mn6 Sn6 Te4 O32",
"formula_reduced": "Li4Mn3Sn3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -377.32441925,
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"updated_at": "2021-11-28T01:35:03.972000Z",
"spacegroup": 8
},
{
"id": "mp-1220101",
"created_at": "2022-09-04T14:40:27.390445Z",
"structure_string": "Nd1 Ti1 Fe11 N1\n1.0\n0.000000 0.000000 4.903703\n-4.299655 4.268906 2.451851\n-4.299655 -4.268906 -2.451851\nNd Ti Fe N\n1 1 11 1\ndirect\n0.006293 0.993707 0.006293 Nd\n0.633845 0.366155 0.633845 Ti\n0.726326 0.773674 0.226326 Fe\n0.276334 0.223666 0.776334 Fe\n0.497234 0.779676 0.774144 Fe\n0.497234 0.225856 0.220324 Fe\n0.499994 0.997268 0.498592 Fe\n0.001330 0.997268 0.498592 Fe\n0.499994 0.501408 0.002732 Fe\n0.001330 0.501408 0.002732 Fe\n0.359323 0.640677 0.359323 Fe\n0.999881 0.360910 0.360673 Fe\n0.999881 0.639327 0.639090 Fe\n0.501000 0.999000 0.001000 N\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Fe-N-Nd-Ti",
"density": 7.5679117239426095,
"density_atomic": 0.07777207384937931,
"volume": 180.01320148815515,
"volume_molar": 7.7433202715707985,
"formula_full": "Nd1 Ti1 Fe11 N1",
"formula_reduced": "NdTiFe11N",
"formula_anonymous": "ABCD11",
"energy": -116.40277424,
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"spacegroup": 44
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{
"id": "mp-1208970",
"created_at": "2022-09-04T14:40:27.409834Z",
"structure_string": "Sm3 P6 Pd20\n1.0\n0.000000 6.172774 6.172774\n6.172774 0.000000 6.172774\n6.172774 6.172774 0.000000\nSm P Pd\n3 6 20\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Sm\n0.738146 0.261854 0.261854 P\n0.261854 0.738146 0.738146 P\n0.261854 0.738146 0.261854 P\n0.738146 0.261854 0.738146 P\n0.261854 0.261854 0.738146 P\n0.738146 0.738146 0.261854 P\n0.385685 0.385685 0.385685 Pd\n0.614315 0.614315 0.614315 Pd\n0.385685 0.385685 0.842944 Pd\n0.385685 0.842944 0.385685 Pd\n0.614315 0.614315 0.157056 Pd\n0.614315 0.157056 0.614315 Pd\n0.842944 0.385685 0.385685 Pd\n0.157056 0.614315 0.614315 Pd\n0.346788 0.000000 0.000000 Pd\n0.653212 0.000000 0.000000 Pd\n0.000000 0.346788 0.653212 Pd\n0.000000 0.653212 0.346788 Pd\n0.000000 0.346788 0.000000 Pd\n0.653212 0.000000 0.346788 Pd\n0.000000 0.653212 0.000000 Pd\n0.346788 0.000000 0.653212 Pd\n0.000000 0.000000 0.346788 Pd\n0.000000 0.000000 0.653212 Pd\n0.653212 0.346788 0.000000 Pd\n0.346788 0.653212 0.000000 Pd\n",
"nsites": 29,
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"elements": [
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],
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"density": 9.761662095997956,
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"volume": 470.4041296860059,
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"formula_full": "Sm3 P6 Pd20",
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"formula_anonymous": "A3B6C20",
"energy": -170.92693795,
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"updated_at": "2021-11-28T01:34:46.898000Z",
"spacegroup": 225
},
{
"id": "mp-1046656",
"created_at": "2022-09-04T14:40:27.419204Z",
"structure_string": "Zn2 Co2 Si2 O10\n1.0\n5.369574 0.000000 0.000000\n-0.909993 5.372870 0.000000\n-2.035588 -2.327043 6.112077\nZn Co Si O\n2 2 2 10\ndirect\n0.272172 0.641934 0.738047 Zn\n0.727828 0.358066 0.261953 Zn\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.664663 0.359290 0.751074 Si\n0.335337 0.640710 0.248926 Si\n0.761776 0.231294 0.940720 O\n0.830692 0.309340 0.583596 O\n0.238224 0.768706 0.059280 O\n0.169308 0.690660 0.416404 O\n0.656828 0.731603 0.378520 O\n0.314336 0.311555 0.140713 O\n0.343172 0.268397 0.621480 O\n0.685664 0.688445 0.859287 O\n0.913149 0.070756 0.244566 O\n0.086851 0.929244 0.755434 O\n",
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"elements": [
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],
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"volume": 176.333562378482,
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"formula_full": "Zn2 Co2 Si2 O10",
"formula_reduced": "ZnCoSiO5",
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"spacegroup": 2
},
{
"id": "mp-756842",
"created_at": "2022-09-04T14:40:27.349112Z",
"structure_string": "Li3 Cr2 Ni1 O6\n1.0\n1.472428 6.445134 0.000000\n-1.472428 6.445134 0.000000\n0.000000 1.350638 5.740113\nLi Cr Ni O\n3 2 1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.664023 0.664023 0.664574 Li\n0.335977 0.335977 0.335426 Li\n0.665743 0.665743 0.172798 Cr\n0.334257 0.334257 0.827202 Cr\n0.000000 0.000000 0.500000 Ni\n0.166892 0.166892 0.400066 O\n0.826900 0.826900 0.065211 O\n0.833108 0.833108 0.599934 O\n0.491745 0.491745 0.744141 O\n0.508255 0.508255 0.255859 O\n0.173100 0.173100 0.934789 O\n",
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],
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"formula_full": "Li3 Cr2 Ni1 O6",
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"spacegroup": 12
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{
"id": "mp-1208210",
"created_at": "2022-09-04T14:40:27.376104Z",
"structure_string": "Tl3 As1 F6\n1.0\n-4.487583 -7.649251 1.042496\n-2.539162 6.627676 -0.486757\n0.604165 1.189343 -7.039486\nTl As F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 As\n0.059261 0.266865 0.784965 F\n0.940739 0.733135 0.215035 F\n0.794721 0.717799 0.796805 F\n0.205279 0.282201 0.203195 F\n0.782693 0.995215 0.061059 F\n0.217307 0.004785 0.938941 F\n",
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"formula_full": "Tl3 As1 F6",
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{
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"structure_string": "Lu4 W4 O20\n1.0\n4.712053 0.000000 -2.279403\n-4.600552 0.000000 -4.550052\n0.000000 12.465887 0.000000\nLu W O\n4 4 20\ndirect\n0.146740 0.785992 0.445485 Lu\n0.853260 0.214008 0.554515 Lu\n0.353260 0.714008 0.945485 Lu\n0.646740 0.285992 0.054515 Lu\n0.951108 0.848646 0.139242 W\n0.048892 0.151354 0.860758 W\n0.548892 0.651354 0.639242 W\n0.451108 0.348646 0.360758 W\n0.048129 0.555968 0.085687 O\n0.951871 0.444032 0.914313 O\n0.451871 0.944032 0.585687 O\n0.548129 0.055968 0.414313 O\n0.861479 0.846485 0.571450 O\n0.138521 0.153515 0.428550 O\n0.638521 0.653515 0.071450 O\n0.361479 0.346485 0.928550 O\n0.272775 0.973245 0.062395 O\n0.727225 0.026755 0.937605 O\n0.227225 0.526755 0.562395 O\n0.772775 0.473245 0.437605 O\n0.997597 0.791933 0.277865 O\n0.002403 0.208067 0.722135 O\n0.502403 0.708067 0.777865 O\n0.497597 0.291933 0.222135 O\n0.156658 0.915227 0.849231 O\n0.843342 0.084773 0.150769 O\n0.343342 0.584773 0.349231 O\n0.656658 0.415227 0.650769 O\n",
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{
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"structure_string": "Cr6 Ga4 N8\n1.0\n6.838786 1.109725 0.764637\n-4.117540 5.261719 0.000000\n0.611543 0.478560 5.067728\nCr Ga N\n6 4 8\ndirect\n0.151227 0.964596 0.872580 Cr\n0.848773 0.813370 0.627420 Cr\n0.848773 0.035404 0.127420 Cr\n0.151227 0.186630 0.372580 Cr\n0.000000 0.555477 0.750000 Cr\n0.000000 0.444523 0.250000 Cr\n0.602283 0.159046 0.732251 Ga\n0.397717 0.556764 0.767749 Ga\n0.397717 0.840954 0.267749 Ga\n0.602283 0.443236 0.232251 Ga\n0.185099 0.941522 0.499029 N\n0.814901 0.756422 0.000971 N\n0.814901 0.058478 0.500971 N\n0.185099 0.243578 0.999029 N\n0.807437 0.286945 0.000682 N\n0.192563 0.479507 0.499318 N\n0.192563 0.713055 0.999318 N\n0.807437 0.520493 0.500682 N\n",
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{
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"structure_string": "K2 Ag1 Au1\n1.0\n-6.254620 6.411538 9.082052\n6.254620 -6.411538 9.082052\n6.254620 6.411538 -9.082052\nK Ag Au\n2 1 1\ndirect\n0.000000 0.255195 0.255195 K\n0.000000 0.744805 0.744805 K\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Au\n",
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