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{
"count": 146323,
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"results": [
{
"id": "mp-757366",
"created_at": "2022-09-04T14:39:35.811955Z",
"structure_string": "Li8 Co4 P8 O28\n1.0\n5.176746 0.167619 -0.064925\n0.510308 6.239286 0.291774\n-0.199608 0.178875 16.614837\nLi Co P O\n8 4 8 28\ndirect\n0.200103 0.557921 0.229370 Li\n0.200120 0.057856 0.729338 Li\n0.799925 0.942124 0.270631 Li\n0.799852 0.442140 0.770666 Li\n0.302115 0.517702 0.419635 Li\n0.301724 0.017548 0.919603 Li\n0.697927 0.982258 0.080354 Li\n0.698219 0.482469 0.580408 Li\n0.234611 0.565903 0.873336 Co\n0.765326 0.934136 0.626661 Co\n0.234792 0.066131 0.373214 Co\n0.765256 0.433821 0.126789 Co\n0.214080 0.732847 0.065118 P\n0.214316 0.232920 0.565078 P\n0.785934 0.767122 0.434885 P\n0.785651 0.267089 0.934923 P\n0.284404 0.076396 0.176353 P\n0.284343 0.576339 0.676360 P\n0.715670 0.423605 0.323641 P\n0.715598 0.923664 0.823639 P\n0.069366 0.788925 0.413380 O\n0.069096 0.288985 0.913440 O\n0.930660 0.711072 0.086639 O\n0.930867 0.211024 0.586550 O\n0.104842 0.286311 0.169155 O\n0.104880 0.786280 0.669149 O\n0.895222 0.213682 0.330839 O\n0.895079 0.713724 0.830848 O\n0.266039 0.238395 0.475024 O\n0.265607 0.738400 0.975043 O\n0.733989 0.261585 0.024977 O\n0.734359 0.761608 0.524954 O\n0.200400 0.913504 0.239922 O\n0.200162 0.413479 0.739890 O\n0.799690 0.586500 0.260088 O\n0.799774 0.086531 0.760106 O\n0.262612 0.978915 0.085271 O\n0.262590 0.478933 0.585264 O\n0.737428 0.521064 0.414731 O\n0.737382 0.021064 0.914732 O\n0.424587 0.393709 0.318477 O\n0.424511 0.893862 0.818469 O\n0.575492 0.106299 0.181506 O\n0.575415 0.606163 0.681540 O\n0.406774 0.587174 0.119679 O\n0.406733 0.087195 0.619713 O\n0.593276 0.912810 0.380317 O\n0.593201 0.412814 0.880293 O\n",
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"elements": [
"Li",
"Co",
"P",
"O"
],
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"density_atomic": 0.08974344449332551,
"volume": 534.8580085264044,
"volume_molar": 6.710396279081849,
"formula_full": "Li8 Co4 P8 O28",
"formula_reduced": "Li2CoP2O7",
"formula_anonymous": "AB2C2D7",
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"energy_per_atom": -7.186730491041668,
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"updated_at": "2021-11-28T01:34:29.177000Z",
"spacegroup": 2
},
{
"id": "mp-768947",
"created_at": "2022-09-04T14:41:24.175496Z",
"structure_string": "Li10 Zn3 Ge4 O16\n1.0\n5.231285 0.000000 0.000000\n-0.047220 6.390996 0.000000\n-0.071881 -0.041759 10.998456\nLi Zn Ge O\n10 3 4 16\ndirect\n0.690897 0.745334 0.072000 Li\n0.322782 0.497190 0.164252 Li\n0.821809 0.996162 0.331545 Li\n0.192606 0.243378 0.424589 Li\n0.806350 0.764171 0.581059 Li\n0.192008 0.998451 0.662293 Li\n0.983057 0.221753 0.808353 Li\n0.643994 0.973515 0.832611 Li\n0.658943 0.520705 0.836269 Li\n0.358927 0.249914 0.935269 Li\n0.323704 0.001824 0.165523 Zn\n0.819465 0.502382 0.330562 Zn\n0.195142 0.507032 0.661411 Zn\n0.829895 0.249315 0.081430 Ge\n0.324568 0.748821 0.411114 Ge\n0.685136 0.249280 0.586998 Ge\n0.158333 0.757668 0.913022 Ge\n0.296120 0.747103 0.061999 O\n0.171790 0.250197 0.087887 O\n0.711225 0.475056 0.159573 O\n0.712173 0.024305 0.160228 O\n0.210835 0.976477 0.335689 O\n0.210279 0.519394 0.335953 O\n0.666224 0.749463 0.412906 O\n0.796214 0.246714 0.434493 O\n0.205639 0.758284 0.561766 O\n0.342086 0.251437 0.588559 O\n0.801504 0.475446 0.668201 O\n0.804622 0.035170 0.671855 O\n0.265691 0.990812 0.838082 O\n0.271480 0.519403 0.837921 O\n0.821801 0.752141 0.912308 O\n0.725799 0.251705 0.927881 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Li",
"Zn",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Zn",
"density": 3.6677244188131572,
"density_atomic": 0.08974397287846318,
"volume": 367.71271586884876,
"volume_molar": 6.710356770315433,
"formula_full": "Li10 Zn3 Ge4 O16",
"formula_reduced": "Li10Zn3(GeO4)4",
"formula_anonymous": "A3B4C10D16",
"energy": -194.19015061,
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"band_gap": 3.1107,
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"updated_at": "2021-11-28T01:35:17.122000Z",
"spacegroup": 1
},
{
"id": "mp-1041504",
"created_at": "2022-09-04T14:42:58.306118Z",
"structure_string": "Zn8 Cu8 Si16 O48\n1.0\n5.275594 0.000000 0.000000\n0.000000 9.143211 0.000000\n0.000000 0.000000 18.480209\nZn Cu Si O\n8 8 16 48\ndirect\n0.616485 0.150582 0.376344 Zn\n0.383515 0.849418 0.623656 Zn\n0.616485 0.650582 0.123656 Zn\n0.116485 0.849418 0.123656 Zn\n0.883515 0.150582 0.876344 Zn\n0.383515 0.349418 0.876344 Zn\n0.116485 0.349418 0.376344 Zn\n0.883515 0.650582 0.623656 Zn\n0.380006 0.991087 0.875855 Cu\n0.619994 0.008913 0.124145 Cu\n0.880006 0.008913 0.624145 Cu\n0.119994 0.991087 0.375855 Cu\n0.380006 0.491087 0.624145 Cu\n0.619994 0.508913 0.375855 Cu\n0.880006 0.508913 0.875855 Cu\n0.119994 0.491087 0.124145 Cu\n0.573167 0.661585 0.773518 Si\n0.721922 0.835603 0.473758 Si\n0.778078 0.835603 0.973758 Si\n0.926833 0.161585 0.226482 Si\n0.073167 0.338415 0.726482 Si\n0.426833 0.838415 0.273518 Si\n0.221922 0.664397 0.473758 Si\n0.721922 0.335603 0.026242 Si\n0.778078 0.335603 0.526242 Si\n0.926833 0.661585 0.273518 Si\n0.426833 0.338415 0.226482 Si\n0.573167 0.161585 0.726482 Si\n0.278078 0.164397 0.526242 Si\n0.073167 0.838415 0.773518 Si\n0.278078 0.664397 0.973758 Si\n0.221922 0.164397 0.026242 Si\n0.914485 0.502239 0.313349 O\n0.312128 0.016490 0.068228 O\n0.085515 0.497761 0.686651 O\n0.713883 0.342412 0.937205 O\n0.213883 0.157588 0.937205 O\n0.927998 0.206942 0.050681 O\n0.936551 0.661703 0.185467 O\n0.063449 0.838297 0.685467 O\n0.713883 0.842412 0.562795 O\n0.936551 0.161703 0.314533 O\n0.414485 0.497761 0.186651 O\n0.786117 0.342412 0.437205 O\n0.687872 0.983510 0.931772 O\n0.436551 0.838297 0.185467 O\n0.585515 0.002239 0.686651 O\n0.312128 0.516490 0.431772 O\n0.414485 0.997761 0.313349 O\n0.161901 0.762705 0.303834 O\n0.338099 0.762705 0.803834 O\n0.572002 0.706942 0.949319 O\n0.786117 0.842412 0.062795 O\n0.563449 0.661703 0.685467 O\n0.812128 0.483510 0.068228 O\n0.161901 0.262705 0.196166 O\n0.286117 0.157588 0.437205 O\n0.563449 0.161703 0.814533 O\n0.687872 0.483510 0.568228 O\n0.213883 0.657588 0.562795 O\n0.187872 0.516490 0.931772 O\n0.661901 0.737295 0.303834 O\n0.085515 0.997761 0.813349 O\n0.838099 0.737295 0.803834 O\n0.838099 0.237295 0.696166 O\n0.812128 0.983510 0.431772 O\n0.286117 0.657588 0.062795 O\n0.187872 0.016490 0.568228 O\n0.338099 0.262705 0.696166 O\n0.072002 0.793058 0.949319 O\n0.427998 0.793058 0.449319 O\n0.661901 0.237295 0.196166 O\n0.427998 0.293058 0.050681 O\n0.572002 0.206942 0.550681 O\n0.072002 0.293058 0.550681 O\n0.436551 0.338297 0.314533 O\n0.585515 0.502239 0.813349 O\n0.927998 0.706942 0.449319 O\n0.063449 0.338297 0.814533 O\n0.914485 0.002239 0.186651 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
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"Cu",
"Si",
"O"
],
"chemical_system": "Cu-O-Si-Zn",
"density": 4.189455192895771,
"density_atomic": 0.08974556594583022,
"volume": 891.4089421229727,
"volume_molar": 6.710237655234044,
"formula_full": "Zn8 Cu8 Si16 O48",
"formula_reduced": "ZnCu(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy": -560.97299305,
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"updated_at": "2021-11-28T01:36:01.133000Z",
"spacegroup": 61
},
{
"id": "mp-686614",
"created_at": "2022-09-04T14:40:57.209481Z",
"structure_string": "Ta1 Ti9 Al3 Zn23 O48\n1.0\n5.986672 0.000000 0.000000\n-2.985502 5.267187 0.000000\n-0.023468 -0.484126 29.682602\nTa Ti Al Zn O\n1 9 3 23 48\ndirect\n0.500977 0.001630 0.438468 Ta\n0.659664 0.316494 0.016816 Ti\n0.827195 0.654962 0.099162 Ti\n0.991596 0.982986 0.183711 Ti\n0.161011 0.321950 0.266365 Ti\n0.325537 0.651256 0.350862 Ti\n0.675187 0.352719 0.525819 Ti\n0.165566 0.830657 0.771465 Ti\n0.997575 0.007142 0.686283 Ti\n0.338047 0.661195 0.856400 Ti\n0.836358 0.669044 0.607012 Al\n0.167752 0.333554 0.770814 Al\n0.497447 0.999341 0.935809 Al\n0.993724 0.987733 0.001657 Zn\n0.324657 0.648758 0.168754 Zn\n0.345044 0.689987 0.035977 Zn\n0.334748 0.168826 0.104085 Zn\n0.833909 0.168711 0.104154 Zn\n0.658244 0.315888 0.333568 Zn\n0.677175 0.354925 0.205369 Zn\n0.668427 0.835536 0.270780 Zn\n0.167024 0.835449 0.270781 Zn\n0.987562 0.975320 0.506218 Zn\n0.009835 0.020215 0.372378 Zn\n0.000054 0.500351 0.437662 Zn\n0.500366 0.500389 0.437602 Zn\n0.325118 0.660443 0.669085 Zn\n0.339584 0.678984 0.542448 Zn\n0.333805 0.160840 0.605454 Zn\n0.830798 0.164007 0.604715 Zn\n0.677829 0.341479 0.705454 Zn\n0.666291 0.832565 0.770916 Zn\n0.008511 0.005933 0.872970 Zn\n0.998716 0.504272 0.937233 Zn\n0.653226 0.325571 0.836760 Zn\n0.502020 0.500853 0.938130 Zn\n0.521860 0.043933 0.060962 O\n0.679394 0.358894 0.139466 O\n0.527770 0.508040 0.061788 O\n0.979989 0.507384 0.061716 O\n0.689561 0.829006 0.147020 O\n0.855680 0.711643 0.228069 O\n0.012422 0.025152 0.306455 O\n0.139211 0.828669 0.147078 O\n0.862253 0.175653 0.228927 O\n0.989664 0.979308 0.069313 O\n0.146471 0.292676 0.148233 O\n0.313309 0.175225 0.228964 O\n0.023908 0.495899 0.313654 O\n0.189231 0.378806 0.395055 O\n0.342989 0.685968 0.474888 O\n0.323032 0.645820 0.236063 O\n0.194767 0.840316 0.395988 O\n0.471605 0.495427 0.313708 O\n0.645425 0.839998 0.396022 O\n0.479262 0.958284 0.314719 O\n0.520247 0.041287 0.558649 O\n0.351511 0.160482 0.479727 O\n0.680765 0.357258 0.638655 O\n0.656427 0.312892 0.400704 O\n0.536018 0.511650 0.563754 O\n0.808708 0.160007 0.479659 O\n0.975826 0.510960 0.563461 O\n0.810609 0.621093 0.480405 O\n0.868800 0.700088 0.730219 O\n0.693222 0.825959 0.648392 O\n0.023188 0.021426 0.804843 O\n0.985438 0.974073 0.572353 O\n0.133749 0.828494 0.646766 O\n0.869450 0.165803 0.730949 O\n0.152195 0.298165 0.650814 O\n0.307609 0.151537 0.732408 O\n0.024492 0.516247 0.808994 O\n0.181219 0.368154 0.890758 O\n0.347967 0.693072 0.969440 O\n0.310300 0.645159 0.736755 O\n0.463388 0.501492 0.810662 O\n0.200825 0.838690 0.894816 O\n0.465376 0.968164 0.811185 O\n0.641123 0.841026 0.893334 O\n0.357373 0.157229 0.978573 O\n0.798792 0.156661 0.978302 O\n0.652708 0.309157 0.903241 O\n0.814292 0.627711 0.982956 O\n",
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"elements": [
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],
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"volume": 935.9791419120518,
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"formula_full": "Ta1 Ti9 Al3 Zn23 O48",
"formula_reduced": "TaTi9Al3Zn23O48",
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"energy": -571.24777031,
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"updated_at": "2021-11-28T01:34:57.208000Z",
"spacegroup": 1
},
{
"id": "mp-20283",
"created_at": "2022-09-04T14:39:43.113927Z",
"structure_string": "Co4 P4 O14\n1.0\n-0.028665 0.006987 5.339146\n8.988032 -0.031403 -1.243867\n-0.920920 5.113332 -1.296218\nCo P O\n4 4 14\ndirect\n0.688006 0.750322 0.309905 Co\n0.311331 0.249294 0.689421 Co\n0.687420 0.251077 0.313896 Co\n0.313175 0.749704 0.686124 Co\n0.217426 0.453063 0.215947 P\n0.216729 0.953000 0.217240 P\n0.783240 0.046974 0.782924 P\n0.782652 0.546931 0.783950 P\n0.000004 0.999980 0.000075 O\n0.000027 0.500006 0.000041 O\n0.621549 0.394169 0.624038 O\n0.622828 0.894100 0.621718 O\n0.377691 0.105863 0.377918 O\n0.378119 0.605728 0.376556 O\n0.926978 0.139189 0.622149 O\n0.926663 0.639412 0.624246 O\n0.378800 0.361147 0.073175 O\n0.376476 0.860319 0.073872 O\n0.073251 0.360316 0.375406 O\n0.073086 0.861017 0.378323 O\n0.623061 0.139379 0.926111 O\n0.621490 0.639011 0.926963 O\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "Co4 P4 O14",
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"formula_anonymous": "A2B2C7",
"energy": -168.71612175,
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},
{
"id": "mp-1178030",
"created_at": "2022-09-04T14:40:24.826421Z",
"structure_string": "Li4 Cr6 Sb2 O16\n1.0\n-2.996220 5.189617 -0.000004\n-3.000313 -1.732243 9.810982\n3.086926 5.241985 0.034548\nLi Cr Sb O\n4 6 2 16\ndirect\n0.304180 0.565235 0.391511 Li\n0.804179 0.065227 0.391504 Li\n0.195680 0.934773 0.608499 Li\n0.695687 0.434767 0.608492 Li\n0.250242 0.750626 0.000171 Cr\n0.250410 0.249375 0.999831 Cr\n0.998729 0.499999 0.999999 Cr\n0.750258 0.250594 0.000150 Cr\n0.750412 0.749407 0.999845 Cr\n0.498763 0.000000 0.000002 Cr\n0.750248 0.749992 0.499974 Sb\n0.250230 0.250007 0.500022 Sb\n0.103398 0.632411 0.795394 O\n0.603412 0.132383 0.795367 O\n0.398777 0.867619 0.204637 O\n0.898794 0.367590 0.204606 O\n0.878127 0.858086 0.243665 O\n0.378141 0.358062 0.243639 O\n0.104716 0.631911 0.242192 O\n0.604707 0.131892 0.242196 O\n0.651410 0.631927 0.243943 O\n0.151404 0.131911 0.243955 O\n0.846900 0.868109 0.757804 O\n0.346910 0.368088 0.757805 O\n0.395362 0.868088 0.756045 O\n0.895356 0.368071 0.756051 O\n0.621778 0.641939 0.756362 O\n0.121790 0.141914 0.756336 O\n",
"nsites": 28,
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"elements": [
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"Cr",
"Sb",
"O"
],
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"density": 4.4669603914489695,
"density_atomic": 0.0897489069618633,
"volume": 311.98151540606443,
"volume_molar": 6.709987858190818,
"formula_full": "Li4 Cr6 Sb2 O16",
"formula_reduced": "Li2Cr3SbO8",
"formula_anonymous": "AB2C3D8",
"energy": -217.98920889,
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"updated_at": "2021-11-28T01:34:56.705000Z",
"spacegroup": 166
},
{
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