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"results": [
{
"id": "mp-14029",
"created_at": "2022-09-04T14:47:36.483036Z",
"structure_string": "Ag8 Mo8 P8 O48\n1.0\n12.200895 0.000000 0.000000\n0.000000 6.435992 0.000000\n0.000000 5.782179 12.308068\nAg Mo P O\n8 8 8 48\ndirect\n0.801728 0.126513 0.854741 Ag\n0.301728 0.873487 0.645259 Ag\n0.198272 0.873487 0.145259 Ag\n0.698272 0.126513 0.354741 Ag\n0.710209 0.561384 0.877442 Ag\n0.210209 0.438616 0.622558 Ag\n0.289791 0.438616 0.122558 Ag\n0.789791 0.561384 0.377442 Ag\n0.898061 0.644904 0.613254 Mo\n0.398061 0.355096 0.886746 Mo\n0.101939 0.355096 0.386746 Mo\n0.601939 0.644904 0.113254 Mo\n0.600199 0.125125 0.629302 Mo\n0.100199 0.874875 0.870698 Mo\n0.399801 0.874875 0.370698 Mo\n0.899801 0.125125 0.129302 Mo\n0.960726 0.134588 0.623515 P\n0.460726 0.865412 0.876485 P\n0.039274 0.865412 0.376485 P\n0.539274 0.134588 0.123515 P\n0.614800 0.689777 0.561935 P\n0.114800 0.310223 0.938065 P\n0.385200 0.310223 0.438065 P\n0.885200 0.689777 0.061935 P\n0.834610 0.538952 0.742554 O\n0.334610 0.461048 0.757446 O\n0.165390 0.461048 0.257446 O\n0.665390 0.538952 0.242554 O\n0.537226 0.395250 0.857424 O\n0.037226 0.604750 0.642576 O\n0.462774 0.604750 0.142576 O\n0.962774 0.395250 0.357424 O\n0.702676 0.064468 0.728116 O\n0.202676 0.935532 0.771884 O\n0.297324 0.935532 0.271884 O\n0.797324 0.064468 0.228116 O\n0.672362 0.224563 0.505262 O\n0.172362 0.775437 0.994738 O\n0.327638 0.775437 0.494738 O\n0.827638 0.224563 0.005262 O\n0.570480 0.790736 0.937843 O\n0.737880 0.693982 0.533500 O\n0.070480 0.209264 0.562157 O\n0.929520 0.790736 0.437843 O\n0.978202 0.009814 0.746641 O\n0.478202 0.990186 0.753359 O\n0.021798 0.990186 0.253359 O\n0.521798 0.009814 0.246641 O\n0.569988 0.441052 0.618319 O\n0.069988 0.558948 0.881681 O\n0.430012 0.558948 0.381681 O\n0.930012 0.441052 0.118319 O\n0.596313 0.798327 0.643265 O\n0.096313 0.201673 0.856735 O\n0.403687 0.201673 0.356735 O\n0.903687 0.798327 0.143265 O\n0.605416 0.975619 0.084569 O\n0.105416 0.024381 0.415431 O\n0.394584 0.024381 0.915431 O\n0.894584 0.975619 0.584569 O\n0.614573 0.348135 0.095917 O\n0.114573 0.651865 0.404083 O\n0.385427 0.651865 0.904083 O\n0.885427 0.348135 0.595917 O\n0.554230 0.830199 0.454713 O\n0.054230 0.169801 0.045287 O\n0.445770 0.169801 0.545287 O\n0.945770 0.830199 0.954713 O\n0.762120 0.693982 0.033500 O\n0.262120 0.306018 0.466500 O\n0.237880 0.306018 0.966500 O\n0.429520 0.209264 0.062157 O\n",
"nsites": 72,
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"elements": [
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],
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"density_atomic": 0.07449642367466157,
"volume": 966.4893487294923,
"volume_molar": 8.083798473735737,
"formula_full": "Ag8 Mo8 P8 O48",
"formula_reduced": "AgMoPO6",
"formula_anonymous": "ABCD6",
"energy": -532.9742317,
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"updated_at": "2021-11-28T01:38:13.508000Z",
"spacegroup": 14
},
{
"id": "mp-554083",
"created_at": "2022-09-04T14:47:36.484586Z",
"structure_string": "Ba4 Zn4 As8 O28\n1.0\n8.691056 0.000000 0.000000\n0.000000 5.745818 0.000000\n0.000000 5.708910 13.597550\nBa Zn As O\n4 4 8 28\ndirect\n0.345893 0.500222 0.285062 Ba\n0.845893 0.499778 0.214938 Ba\n0.654107 0.499778 0.714938 Ba\n0.154107 0.500222 0.785062 Ba\n0.850796 0.780975 0.887833 Zn\n0.350796 0.219025 0.612167 Zn\n0.649204 0.780975 0.387833 Zn\n0.149204 0.219025 0.112167 Zn\n0.966696 0.093361 0.657878 As\n0.314704 0.840921 0.486564 As\n0.466696 0.906639 0.842122 As\n0.533304 0.093361 0.157878 As\n0.814704 0.159079 0.013436 As\n0.185296 0.840921 0.986564 As\n0.033304 0.906639 0.342122 As\n0.685296 0.159079 0.513436 As\n0.612633 0.174720 0.037212 O\n0.379457 0.178355 0.763633 O\n0.112633 0.825280 0.462788 O\n0.164365 0.590825 0.096859 O\n0.439719 0.660335 0.808451 O\n0.151438 0.136680 0.984357 O\n0.590622 0.196054 0.609287 O\n0.879457 0.821645 0.736367 O\n0.664365 0.409175 0.403141 O\n0.651438 0.863320 0.515643 O\n0.409378 0.803946 0.390713 O\n0.560281 0.339665 0.191549 O\n0.835635 0.409175 0.903141 O\n0.887367 0.174720 0.537212 O\n0.387367 0.825280 0.962788 O\n0.654165 0.983365 0.851114 O\n0.845835 0.983365 0.351114 O\n0.620543 0.821645 0.236367 O\n0.154165 0.016635 0.648886 O\n0.060281 0.660335 0.308451 O\n0.345835 0.016635 0.148886 O\n0.939719 0.339665 0.691549 O\n0.909378 0.196054 0.109287 O\n0.090622 0.803946 0.890713 O\n0.348562 0.136680 0.484357 O\n0.120543 0.178355 0.263633 O\n0.335635 0.590825 0.596859 O\n0.848562 0.863320 0.015643 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"Zn",
"As",
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],
"chemical_system": "As-Ba-O-Zn",
"density": 4.544434478266202,
"density_atomic": 0.06479889473904349,
"volume": 679.0239274480795,
"volume_molar": 9.29358561477355,
"formula_full": "Ba4 Zn4 As8 O28",
"formula_reduced": "BaZnAs2O7",
"formula_anonymous": "ABC2D7",
"energy": -283.14827759,
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"updated_at": "2021-11-28T01:38:16.635000Z",
"spacegroup": 14
},
{
"id": "mp-754186",
"created_at": "2022-09-04T14:47:36.496352Z",
"structure_string": "Mn4 In2 O10\n1.0\n1.955010 -5.010803 0.000000\n1.955010 5.010803 0.000000\n0.000000 0.000000 10.272869\nMn In O\n4 2 10\ndirect\n0.862081 0.137919 0.557579 Mn\n0.862081 0.137919 0.942421 Mn\n0.137919 0.862081 0.057579 Mn\n0.137919 0.862081 0.442421 Mn\n0.804253 0.195747 0.250000 In\n0.195747 0.804253 0.750000 In\n0.952890 0.047110 0.108081 O\n0.952890 0.047110 0.391919 O\n0.689450 0.310550 0.446446 O\n0.689450 0.310550 0.053554 O\n0.788824 0.211176 0.750000 O\n0.211176 0.788824 0.250000 O\n0.047110 0.952890 0.608081 O\n0.310550 0.689450 0.553554 O\n0.047110 0.952890 0.891919 O\n0.310550 0.689450 0.946446 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"In",
"O"
],
"chemical_system": "In-Mn-O",
"density": 5.027600838095474,
"density_atomic": 0.07949538647176843,
"volume": 201.26954166934146,
"volume_molar": 7.575459441459123,
"formula_full": "Mn4 In2 O10",
"formula_reduced": "Mn2InO5",
"formula_anonymous": "AB2C5",
"energy": -121.40096918,
"energy_per_atom": -7.58756057375,
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"updated_at": "2021-11-28T01:38:19.757000Z",
"spacegroup": 63
},
{
"id": "mp-1113787",
"created_at": "2022-09-04T14:47:36.502098Z",
"structure_string": "Rb2 V1 Cu1 F6\n1.0\n6.002608 0.000000 0.000000\n3.001304 5.198411 0.000000\n3.001304 1.732804 4.901109\nRb V Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Cu\n0.234190 0.765810 0.234190 F\n0.765810 0.765810 0.234190 F\n0.765810 0.234190 0.765810 F\n0.765810 0.234190 0.234190 F\n0.234190 0.765810 0.765810 F\n0.234190 0.234190 0.765810 F\n",
"nsites": 10,
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"elements": [
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"V",
"Cu",
"F"
],
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"density": 4.336775103916321,
"density_atomic": 0.06538754667489251,
"volume": 152.9343201958638,
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"formula_full": "Rb2 V1 Cu1 F6",
"formula_reduced": "Rb2VCuF6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:38:14.979000Z",
"spacegroup": 225
},
{
"id": "mp-980197",
"created_at": "2022-09-04T14:47:36.509135Z",
"structure_string": "Yb1 Er1 Pt2\n1.0\n0.000000 3.449083 3.449083\n3.449083 0.000000 3.449083\n3.449083 3.449083 0.000000\nYb Er Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
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"elements": [
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"Er",
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"density": 14.78116843896568,
"density_atomic": 0.04874376362928496,
"volume": 82.0617798498601,
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"formula_full": "Yb1 Er1 Pt2",
"formula_reduced": "YbErPt2",
"formula_anonymous": "ABC2",
"energy": -23.02972483,
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"updated_at": "2021-11-28T01:38:17.466000Z",
"spacegroup": 225
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{
"id": "mp-1078314",
"created_at": "2022-09-04T14:47:36.583939Z",
"structure_string": "Eu2 Mn2 Bi4\n1.0\n-2.318184 2.318184 10.771090\n2.318184 -2.318184 10.771090\n2.318184 2.318184 -10.771090\nEu Mn Bi\n2 2 4\ndirect\n0.881386 0.881386 0.000000 Eu\n0.118614 0.118614 0.000000 Eu\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.671681 0.671681 0.000000 Bi\n0.328319 0.328319 0.000000 Bi\n",
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"formula_full": "Eu2 Mn2 Bi4",
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"spacegroup": 139
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{
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"created_at": "2022-09-04T14:47:36.630942Z",
"structure_string": "Ca6 Cr4 N8\n1.0\n6.791608 0.054931 -0.071510\n-5.105565 6.524295 0.000000\n-0.147421 -0.115364 5.398334\nCa Cr N\n6 4 8\ndirect\n0.235554 0.984846 0.041115 Ca\n0.764446 0.749292 0.458885 Ca\n0.764446 0.015154 0.958885 Ca\n0.235554 0.250708 0.541115 Ca\n0.000000 0.600042 0.750000 Ca\n0.000000 0.399958 0.250000 Ca\n0.590124 0.170372 0.583713 Cr\n0.409876 0.580249 0.916287 Cr\n0.409876 0.829628 0.416287 Cr\n0.590124 0.419751 0.083713 Cr\n0.243725 0.945344 0.525446 N\n0.756275 0.701618 0.974554 N\n0.756275 0.054656 0.474554 N\n0.243725 0.298382 0.025446 N\n0.669908 0.266868 0.911833 N\n0.330092 0.596961 0.588167 N\n0.330092 0.733132 0.088167 N\n0.669908 0.403039 0.411833 N\n",
"nsites": 18,
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"formula_full": "Ca6 Cr4 N8",
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"energy": -133.40906569,
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{
"id": "mp-1275592",
"created_at": "2022-09-04T14:47:36.520739Z",
"structure_string": "Li4 V10 O20\n1.0\n-1.122606 4.997980 -0.407664\n-2.248669 1.800025 7.216274\n10.350346 -0.146133 0.586518\nLi V O\n4 10 20\ndirect\n0.544532 0.398318 0.107207 Li\n0.544502 0.398291 0.607174 Li\n0.456551 0.599455 0.396351 Li\n0.456682 0.599338 0.896277 Li\n0.498272 0.003886 0.001254 V\n0.016462 0.685825 0.568492 V\n0.986762 0.314856 0.435622 V\n0.956294 0.893441 0.345827 V\n0.040492 0.103725 0.652673 V\n0.498049 0.004040 0.501204 V\n0.016572 0.685803 0.068517 V\n0.986776 0.314866 0.935627 V\n0.956406 0.893474 0.845807 V\n0.040608 0.103704 0.152678 V\n0.215791 0.865096 0.024537 O\n0.215600 0.865092 0.524537 O\n0.781632 0.130220 0.467507 O\n0.781625 0.130218 0.967530 O\n0.779489 0.511532 0.033019 O\n0.779429 0.511525 0.532989 O\n0.219808 0.495964 0.469324 O\n0.219896 0.495951 0.969317 O\n0.785721 0.932680 0.160914 O\n0.785569 0.932737 0.660921 O\n0.207190 0.054032 0.340111 O\n0.207138 0.054084 0.840113 O\n0.272315 0.222958 0.090852 O\n0.272290 0.222963 0.590881 O\n0.733940 0.782944 0.399904 O\n0.734127 0.782955 0.899916 O\n0.170628 0.689585 0.243701 O\n0.170651 0.689592 0.743678 O\n0.834121 0.315411 0.262752 O\n0.834083 0.315439 0.762786 O\n",
"nsites": 34,
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"elements": [
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"density": 3.697155126002787,
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"volume": 384.98771125116406,
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"formula_full": "Li4 V10 O20",
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"formula_anonymous": "A2B5C10",
"energy": -280.87204399,
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{
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{
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{
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}